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Molecular dynamics investigations on a quantum system in a thermostat
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Molecular dynamics investigations on Lennard–Jones systems near the gas–liquid critical point
3
Molecular dynamics model for heating of Coulomb clusters by laser field Original Research Article
4
Molecular dynamics modeling and simulation of a graphene-based nanoelectromechanical resonator
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Molecular dynamics modeling and simulations of a single-walled carbon-nanotube-resonator encapsulating a finite nanoparticle
6
Molecular Dynamics Modeling and Simulations of Carbon Nanotube-based Gears
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Molecular dynamics modeling and simulations of graphene-nanoribbon-resonator-based nanobalance as yoctogram resolution detector
8
Molecular dynamics modeling and simulations to understand gate-tunable graphene-nanoribbon-resonator
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Molecular dynamics modeling of chemical erosion of hydrocarbon films
10
Molecular dynamics modeling of deuterium in liquid lithium surfaces
11
Molecular dynamics modeling of irradiation damage in pure and uranium-doped zircon
12
Molecular dynamics modeling of polymer crystallization from the melt
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Molecular dynamics modeling of stishovite
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Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials
15
Molecular dynamics modeling of thermal conductivity enhancement in metal nanoparticle suspensions
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Molecular dynamics modeling the Li-PolystyreneTFSI/PEO blend
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Molecular dynamics modelling for the analysis and prediction of miscibility in polylactide/polyvinilphenol blends
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Molecular dynamics modelling of radiation defects in ferromagnetic α-iron
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Molecular dynamics modified transfer function for phosphate thickener control
20
Molecular dynamics of [(CH2OH)3CNH3]2SiF6 by phase transition of 178 K Original Research Article
21
Molecular dynamics of 17a- and 21-hydroxy progesterone studied by NMR. Relation between molecule conformation and height of the barrier for methyl group reorientations in steroid compounds
22
Molecular dynamics of a tetrasaccharide subunit of chondroitin 4-sulfate in water
23
Molecular dynamics of acetophenone and its derivatives investigated by femtosecond optical Kerr effect spectroscopy and depolarized low-frequency Raman scattering
24
Molecular dynamics of amide ions in potassium amide (KNH2) studied with orientation-dependent deuterium spin lattice relaxation
25
Molecular dynamics of amorphous/crystalline polymer blends studied by broadband dielectric spectroscopy
26
Molecular dynamics of an enzyme reaction: proton transfer in TIM
27
Molecular dynamics of an epoxy resin modified with an epoxidized poly(styrene–butadiene) linear block copolymer during cure and microphase separation processes
28
Molecular dynamics of an epoxy resin studied by Thermally Stimulated Depolarization Currents
29
Molecular dynamics of an excess electron in aqueous solutions
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Molecular dynamics of benzene in zeolite NaY studied by 2D deuteron NMR
31
Molecular dynamics of buspirone analogues interacting with the 5-HT1A and 5-HT2A serotonin receptors Original Research Article
32
Molecular dynamics of chiral semi-crystalline poly(R)-(3-hydroxyalkanoates)
33
Molecular dynamics of cis/trans N-methylformamide liquid mixture using a new optimized all atom rigid force field
34
Molecular dynamics of cleavage and flake formation during the interaction of a graphite surface with a rigid nanoasperity Original Research Article
35
Molecular dynamics of coil–rod–coil molecules depending on their concentrations in polar or non-polar solvent: intra- and intermolecular interactions and charge transfer emissions
36
Molecular dynamics of comminution in ball mills
37
Molecular dynamics of contact behavior of self-assembled monolayers on gold using nanoindentation
38
Molecular dynamics of C-peptide of ribonuclease A studied by replica-exchange Monte Carlo method and diffusion theory
39
Molecular dynamics of DNA and nucleosomes in solution studied by fast-scanning atomic force microscopy
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Molecular dynamics of DNA and nucleosomes in solution studied by fast-scanning atomic force microscopy
41
Molecular dynamics of ethylene glycol adsorbed in NaX: NMR and broadband dielectric spectroscopy studies
42
Molecular dynamics of flows in the Knudsen regime
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Molecular dynamics of fluid phase change
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Molecular dynamics of linear and hyperbranched polyurethanes and their blends
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Molecular dynamics of liquid alkali metals near melting temperature
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Molecular dynamics of liquid crystals
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Molecular dynamics of liquid Zirconia: Effect of Pressure
48
Molecular dynamics of methanol cation (CH3OH+) in strong fields: Comparison of 800 nm and 7 μm laser fields
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Molecular dynamics of methoxy polyoxyethylene macromonomer micelles in the absence and presence of SDS micelles using 1H NMR spin-lattice relaxation time measurements
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Molecular dynamics of n-dodecylammonium chloride in aqueous solutions investigated by 2H NMR and 1H NMR relaxometry
51
Molecular dynamics of nonadiabatic processes at surfaces: Chemisorption of H/Al(1 1 1)
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Molecular dynamics of NPY Y1 receptor activation Original Research Article
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Molecular dynamics of organic matter in a cultivated soil
54
Molecular dynamics of perfluorinated oligo and polyethers
55
Molecular dynamics of poly (oxybutylene)s confined in pores of Vycor glass
56
Molecular dynamics of poly(ATRIF) homopolymer and poly(AN-co-ATRIF) copolymer investigated by dielectric relaxation spectroscopy
57
Molecular dynamics of poly(butylene tert-butyl isophthalate) and its copolymers with poly(butylene terephthalate) as revealed by broadband dielectric spectroscopy
58
Molecular dynamics of poly(glycolide) and poly(glycolide-co-L-lactide) during isothermal cold crystallization
59
Molecular dynamics of poly(l-lactide) biopolymer studied by wide-line solid-state 1H and 2H NMR spectroscopy
60
Molecular Dynamics of Polycrystalline Cellobiose Studied by Solid-State NMR
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Molecular dynamics of shear transformation zones in metallic glasses
62
Molecular dynamics of shoot vs. root biomarkers in an agricultural soil estimated by natural abundance 13C labelling
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Molecular dynamics of shoot vs. root biomarkers in an agricultural soil estimated by natural abundance 13C labelling
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Molecular dynamics of single wall carbon nanotube growth on nickel surface
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Molecular dynamics of solid benzothiadiazine derivatives (Thiazides). A study by NMR, DTA and DFT methods
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Molecular dynamics of solid furosemide (4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid) studied by NMR and DFT methods
67
Molecular dynamics of tert-butyl chloride confined in CPG studied by NMR
68
Molecular dynamics of the compensatory response to myocardial infarct
69
Molecular dynamics of the frame-shifting pseudoknot from beet western yellows virus: the role of non-Watson-Crick base-pairing, ordered hydration, cation binding and base mutations on stability and unfolding
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Molecular dynamics of the interaction of anionic surfactants with liposomes
71
Molecular dynamics of the spin probes in dry and wet poly(3-hydroxybutyrate) films with different morphology
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Molecular dynamics of thermal vibration effects: Ar + Ni(1 0 0) collision system
73
Molecular dynamics of viscoplasticity in β-tin lattice and grain boundary
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Molecular dynamics on APE100 Original Research Article
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Molecular dynamics on distributed-memory MIMD computers with load balancing Original Research Article
76
Molecular dynamics potentials in magnetite (Fe3O4) modeling
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Molecular dynamics prediction of density for metastable liquid noble metals
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Molecular dynamics prediction of nanofluidic contact angle offset by an AFM
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Molecular dynamics predictions of the influence of graphite stacking arrangement on the thermal conductivity tensor
80
Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA
81
Molecular dynamics properties of varying amounts of the anticancer drug gemcitabine inside an open-ended single-walled carbon nanotube
82
Molecular dynamics refinement of topologically generated reconstructions of simulated irradiation cascades in silica networks
83
Molecular Dynamics Reveal the Essential Role of Linker Motions in the Function of Cullin–RING E3 Ligases
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Molecular dynamics simulation about porous thin-film growth in secondary deposition
85
Molecular dynamics simulation analysis of hydration effects on microstructure and transport dynamics in sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) fuel cell membranes
86
Molecular dynamics simulation and analysis of interfacial water at selected sulfide mineral surfaces under anaerobic conditions
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Molecular dynamics simulation and chemical bonding analysis of MgB2C2
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Molecular dynamics simulation and docking studies on the binding properties of several anticancer drugs to human serum albumin
89
Molecular dynamics simulation and electrical conductivity measurement of Na2O•3SiO2 melt under high pressure; relationship between its structure and properties
90
Molecular dynamics simulation and essential dynamics study of mutated plastocyanin: structural, dynamical and functional effects of a disulfide bridge insertion at the protein surface Original Research Article
91
Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA)
92
Molecular Dynamics Simulation and Nuclear Magnetic Resonance Studies of the Terminal Glucotriose Unit Found in the Oligosaccharide of Glycoprotein Precursors
93
Molecular dynamics simulation and positron annihilation lifetime spectroscopy: Pervaporation dehydration process using polyelectrolyte complex membranes
94
Molecular dynamics simulation and quantum chemical calculations for the adsorption of some Azo-azomethine derivatives on mild steel
95
Molecular dynamics simulation and quantum mechanical calculations on α-d-N-acetylneuraminic acid Original Research Article
96
Molecular dynamics simulation and theoretical analysis of carbon diffusion in cementite Original Research Article
97
Molecular dynamics simulation comparison of atomic scale intermixing at the amorphous Al2O3/semiconductor interface for a-Al2O3/Ge, a-Al2O3/InGaAs, and a-Al2O3/InAlAs/InGaAs
98
Molecular dynamics simulation data of self-diffusion coefficient for Lennard–Jones chain fluids
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Molecular dynamics simulation for cooling rate dependence of solidification microstructures of silver
100
Molecular Dynamics Simulation for Grain Boundary Deformation under Tensile Loading Condition
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Molecular dynamics simulation for Henry’s constant of oxygen in benzene
102
Molecular dynamics simulation for homogeneous nucleation of water and liquid nitrogen in explosive boiling
103
Molecular dynamics simulation for interaction of PESA and acrylic copolymers with calcite crystal surfaces Original Research Article
104
Molecular dynamics simulation for microscope insight of water evaporation on a heated magnesium surface
105
Molecular dynamics simulation for phase behavior of amphiphilic solution Original Research Article
106
Molecular dynamics simulation for polyethylene crystallization: Effect of long chain branches
107
Molecular dynamics simulation for sodium atom in and on the two layers of C150H 30 graphite plane Original Research Article
108
Molecular dynamics simulation for the baryon-quark phase transition at finite baryon density
109
Molecular dynamics simulation for the rapid solidification process of MgO–Al2O3–SiO2 glass–ceramics
110
Molecular dynamics simulation guiding the improvement of EVA-type pour point depressant
111
Molecular Dynamics Simulation in Virtual Environments
112
Molecular dynamics simulation investigation of hexanoic acid adsorption onto calcite ()surface
113
Molecular Dynamics Simulation Links Conformation of a Pore-Flanking Region to Hyperekplexia-Related Dysfunction of the Inhibitory Glycine Receptor Original Research Article
114
Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide
115
Molecular dynamics simulation of a binary mixture lubricant for use in hard disk interfaces
116
Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution Original Research Article
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Molecular dynamics simulation of a flexible polymer network in a liquid crystal solvent; structure and equilibrium properties
118
Molecular dynamics simulation of a flexible polymer network in a liquid crystalline solvent; dynamical properties
119
Molecular dynamics simulation of a model oligomer for poly(N-isopropylamide) in water
120
Molecular dynamics simulation of a nanoscale sliding layer system
121
Molecular dynamics simulation of a novel kind of polymer composite incorporated with polyhedral oligomeric silsesquioxane (POSS)
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Molecular dynamics simulation of a nuclear waste glass matrix
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Molecular dynamics simulation of a nuclear waste glass matrix
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Molecular dynamics simulation of a positively charged silver nanoparticle capped by cetyltrimethylammonium cations
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Molecular dynamics simulation of a relativistic gas: Thermostatistical properties Original Research Article
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Molecular dynamics simulation of a single graphene sheet under tension
127
Molecular dynamics simulation of a single polymer chain in vacuum and in solution Original Research Article
128
Molecular dynamics simulation of a thin water layer evaporation and evaporation coefficient
129
Molecular dynamics simulation of acyclic guanidinium-based ionic liquids
130
Molecular dynamics simulation of aggregation in dimethyl sulfoxide–water binary mixture
131
Molecular Dynamics Simulation of Al Energetic Nano Cluster Impact (ECl) onto the Surface
132
Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)
133
Molecular dynamics simulation of alloying in a Ti-coated Al nanoparticle
134
Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle
135
Molecular dynamics simulation of amorphous silica under uniaxial tension: From bulk to nanowire
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Molecular dynamics simulation of an exciton in polyaniline
137
Molecular dynamics simulation of anionic clays containing glutamic acid
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Molecular Dynamics Simulation of Antimicrobial Peptide CM15 in Staphylococcus Aureus and Escherichia coli Model Bilayer Lipid
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Molecular dynamics simulation of aqueous solutions of glycine betaine
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Molecular dynamics simulation of atomic intermixing in microclusters
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Molecular dynamics simulation of atomic intermixing in microclusters
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Molecular dynamics simulation of barnacle cement
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Molecular dynamics simulation of binary CaO–FeO, MgO–SiO2, FeO–SiO2, CaO–SiO2 and ternary CaO–FeO–SiO2 systems
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Molecular dynamics simulation of C20 fullerene
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Molecular dynamics simulation of carbon dioxide in ethanol and water
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Molecular dynamics simulation of carbon nanostructures: The D5h C70 fullerene
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Molecular dynamics simulation of carbon nanotube structure
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Molecular dynamics simulation of CH3 interaction with Si(1 0 0) surface
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Molecular dynamics simulation of chiral chromatography
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Molecular dynamics simulation of cis-1,4-polybutadiene. 1. Comparison with experimental data for static and dynamic properties
151
Molecular dynamics simulation of cis-1,4-polybutadiene. 2. Chain motion and origin of the fast process
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Molecular dynamics simulation of crack growth under cyclic loading
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Molecular dynamics simulation of crack tip blunting in opposing directions along a symmetrical tilt grain boundary of copper bicrystal
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Molecular dynamics simulation of crack tip processes in ceria and gadolinia doped ceria
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Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA
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Molecular dynamics simulation of Cu atoms interaction with symmetrical grain boundaries of BCC Fe
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Molecular dynamics simulation of Cu cluster deposition on Au(0 0 1) surfaces
158
Molecular Dynamics Simulation of Dark-adapted Rhodopsin in an Explicit Membrane Bilayer: Coupling between Local Retinal and Larger Scale Conformational Change
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Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon
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Molecular dynamics simulation of defect production in irradiated β-SiC
161
Molecular dynamics simulation of deformation behavior in amorphous polymer: nucleation of chain entanglements and network structure under uniaxial tension
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Molecular dynamics simulation of deformation behavior in amorphous polymer: nucleation of chain entanglements and network structure under uniaxial tension
163
Molecular dynamics simulation of deformation behavior in amorphous polymer: nucleation of chain entanglements and network structure under uniaxial tension
164
Molecular dynamics simulation of deposition and etching of Si bombarding by energetic SiF
165
Molecular dynamics simulation of deuterium trapping and bubble formation in tungsten
166
Molecular dynamics simulation of diffusion and permeation of gases in polystyrene
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Molecular dynamics simulation of diffusion coefficients of naphthalene and 2-naphthol in supercritical carbon dioxide
168
Molecular dynamics simulation of diffusion in a (110) B2-NiAl film
169
Molecular dynamics simulation of diffusion of gases in pure and silica-filled poly(1-trimethylsilyl-1-propyne) [PTMSP]
170
Molecular dynamics simulation of diffusion of O2 and CO2 in amorphous poly(ethylene terephthalate) and related aromatic polyesters
171
Molecular dynamics simulation of diffusion of O2 and CO2 in blends of amorphous poly(ethylene terephthalate) and related polyesters
172
Molecular dynamics simulation of diffusionless phase transformation in a quenched NiAl alloy model Original Research Article
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Molecular Dynamics Simulation of Dimple Formation Process on Ductile Fracture Surface
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Molecular dynamics simulation of dislocation intersections in aluminum
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Molecular dynamics simulation of dislocation intersections in aluminum
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Molecular dynamics simulation of dislocation nucleation and motion at γ/γ′ interface in Ni-based superalloy
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Molecular dynamics simulation of dislocation nucleation and motion at γ/γ′ interface in Ni-based superalloy
178
Molecular dynamics simulation of dislocation nucleation and motion at γ/γ′ interface in Ni-based superalloy
179
Molecular dynamics simulation of dislocations in uranium dioxide
180
Molecular dynamics simulation of dislocation–void interactions in BCC Mo
181
Molecular dynamics simulation of dispersion and aggregation kinetics of nanorods in polymer nanocomposites
182
Molecular dynamics simulation of displacement cascades in Fe–Cr alloys
183
Molecular dynamics simulation of displacement cascades in α-Fe: A critical review
184
Molecular Dynamics Simulation of Double Proton Transfer: Adenine–Thymine Base Pair
185
Molecular dynamics simulation of dual amino-functionalized imidazolium-based ionic liquids
186
Molecular dynamics simulation of effect of indenter shape on nanoscratch of Ni
187
Molecular dynamics simulation of energetic aluminum/palladium core–shell nanoparticles
188
Molecular dynamics simulation of ethanol/water mixtures for structure and diffusion properties
189
Molecular dynamics simulation of fast dislocations in copper Original Research Article
190
Molecular dynamics simulation of femtosecond ablation and spallation with different interatomic potentials
191
Molecular dynamics simulation of fluorite- and tysonite-type solid electrolytes
192
Molecular dynamics simulation of formation process of single-walled carbon nanotubes by CCVD method
193
Molecular Dynamics Simulation of Functional and Hybrid Epoxy Based Nanocomposites
194
Molecular dynamics simulation of grain boundary plasticity in magnesium and solid-solution magnesium alloys
195
Molecular dynamics simulation of granular flows: Slip along rough inclined planes
196
Molecular dynamics simulation of graphene bombardment with Si ion
197
Molecular dynamics simulation of graphene on Cu (1 0 0) and (1 1 1) surfaces
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Molecular dynamics simulation of graphene sheets joining under ion beam irradiation
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Molecular dynamics simulation of heat transfer with effects of fluid–lattice interactions
200
Molecular dynamics simulation of helium and oxygen diffusion in
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Molecular dynamics simulation of helium–vacancy interaction in plutonium
202
Molecular dynamics simulation of HIV-1 fusion domain-membrane complexes: Insight into the N-terminal gp41 fusion mechanism Original Research Article
203
Molecular dynamics simulation of homogeneous nucleation in supersaturated water vapor
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Molecular dynamics simulation of homogeneous nucleation of KBr cluster Original Research Article
205
MOLECULAR DYNAMICS SIMULATION OF HOMOLOGY MODELED CYTOSOLIC Hsp90 ISOFORM FROM ARABIDOPSIS THALIANA
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Molecular dynamics simulation of hydrogen atom sputtering on the surface of graphite with defect and edge
207
Molecular dynamics simulation of hydrogen isotope-terminated silicon(111) and (110) surfaces: calculation of vibrational energy relaxation rates of hydrogen isotope stretching modes
208
Molecular dynamics simulation of hydrogenated carbon film growth from CH radicals
209
Molecular dynamics simulation of hydroxyapatite–polyacrylic acid interfaces
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Molecular dynamics simulation of ice XII
211
Molecular Dynamics Simulation of Imidazole Aqueous Solution at 298.15, 303.15 and 308.15 K
212
Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal
213
MOLECULAR DYNAMICS SIMULATION OF INTERFACIAL ADSORPTION OF 2-HYDROXY OXIME AT HEPTANE/WATER INTERFACE
214
Molecular dynamics simulation of interfacial defects with modified potential based on the first-principle
215
Molecular dynamics simulation of interlayer water embedded in phospholipid bilayer
216
Molecular dynamics simulation of interphase transport at liquid surfaces
217
Molecular dynamics simulation of intragranular Xe bubble re-solution in UO2
218
Molecular dynamics simulation of intrinsic and extrinsic mechanical properties of amorphous metals
219
Molecular dynamics simulation of ion dynamics in glassy ionic conductors: Evidence of the primitive ion hopping process
220
Molecular dynamics simulation of ionized cluster beam deposition using the tight-binding model
221
Molecular dynamics simulation of irradiation-induced amorphization of cubic silicon carbide
222
Molecular dynamics simulation of La2O3–Na2O–SiO2 glasses. I. The structural role of La3+ cations
223
Molecular dynamics simulation of Li surface erosion and bubble formation
224
Molecular dynamics simulation of linear friction welding between dissimilar Ti-based alloys
225
Molecular dynamics simulation of liquid crystal formation within semi-flexible main chain LCPs
226
Molecular dynamics simulation of liquid methanol under the influence of an external electric field
227
Molecular dynamics simulation of liquid–vapor phase diagrams of metals modeled using modified empirical pair potentials
228
Molecular dynamics simulation of liquid–vapor phase equilibria in polar fluids
229
Molecular dynamics simulation of lithium diffusion in Li2O–Al2O3–SiO2 glasses
230
Molecular dynamics simulation of lithium iodide in liquid dimethylsulfoxide
231
Molecular dynamics simulation of lithium ion mobility in a PEO surface
232
Molecular dynamics simulation of loading rate and surface effects on the elastic bending behavior of metal nanorod
233
Molecular dynamics simulation of local atomic structure in amorphous Pd-Si alloys
234
Molecular dynamics simulation of local atomic structure in amorphous Pd-Si alloys
235
MOLECULAR DYNAMICS SIMULATION OF LOW ENERGY CLUSTER DEPOSITION DURING DIFFUSION-LIMITED THIN FILM GROWTH
236
Molecular dynamics simulation of low-energy atomic hydrogen on tungsten surface
237
Molecular dynamics simulation of manipulation of metallic nanoclusters on double-layer substrates
238
Molecular dynamics simulation of mechanical performance of graphene/graphene oxide paper based polymer composites
239
Molecular dynamics simulation of mechanical properties of Ni–Al nanowires
240
Molecular dynamics simulation of mechanical, vibrational and electronic properties of carbon nanotubes
241
MOLECULAR DYNAMICS SIMULATION OF MELTING AND GLASS FORMATION OF SILICA AT HIGH PRESSURE
242
MOLECULAR DYNAMICS SIMULATION OF MELTING, SOLIDIFICATION AND REMELTING PROCESSES OF ALUMINUM
243
Molecular dynamics simulation of metal cluster cooling and heating in noble gas atmosphere
244
Molecular dynamics simulation of metal coating on single-walled carbon nanotube
245
Molecular dynamics simulation of metal porphyrin complex encapsulated in zeolite
246
Molecular Dynamics Simulation of Micro Mechanisms in Slip Deformation Theory of Crystals
247
Molecular dynamics simulation of microcrack healing in copper
248
Molecular dynamics simulation of microscopic structure and hydrogen bond network of the pristine and phosphoric acid doped polybenzimidazole
249
Molecular dynamics simulation of miscibility in several polymer blends
250
Molecular dynamics simulation of mixed matrix nanocomposites containing polyimide and polyhedral oligomeric silsesquioxane (POSS)
251
Molecular Dynamics Simulation of Mixed Surfactants Adsorption on Graphene Nano-Sheets: Effects of Temperature, Electrolyte, and Alcohol
252
Molecular dynamics simulation of Na+-DMP− and Na+-MP2− ion pair in aqueous solution
253
Molecular dynamics simulation of NaCl at the air/water interface with shell model
254
Molecular dynamics simulation of NaCl solutions in methanol—water mixtures. Intramolecular vibrations of the solvent components Original Research Article
255
Molecular dynamics simulation of nanofluid’s effective thermal conductivity in high-shear-rate Couette flow
256
Molecular dynamics simulation of nanoindentation of Fe3C and Fe4C
257
Molecular dynamics simulation of nano-lithography process using atomic force microscopy
258
Molecular dynamics simulation of nanoporous silica
259
Molecular dynamics simulation of nano-scale interfacial friction characteristic for different tribopair systems
260
Molecular dynamics simulation of natural gas sweetening by monoethanolamine
261
Molecular dynamics simulation of non-contact atomic force microscopy of an ordered monolayer consisting of single united atoms chemisorbed strongly on a continuum substrate
262
MOLECULAR DYNAMICS SIMULATION OF NUCLEIC ACIDS
263
Molecular dynamics simulation of optimized shearing routes in single- and polycrystalline aluminum
264
Molecular dynamics simulation of organic–inorganic copolymers based on methacryl-POSS and methyl methacrylate
265
Molecular dynamics simulation of orientation and crystallization of polyethylene during uniaxial extension
266
Molecular dynamics simulation of oxide thin film growth: Importance of the inter-atomic interaction potential
267
Molecular dynamics simulation of oxides with ionic–covalent bonds
268
Molecular dynamics simulation of oxygen diffusion in dry and water-containing poly(vinyl alcohol)
269
Molecular dynamics simulation of oxygen ion diffusion in Ba2In2O5
270
Molecular dynamics simulation of oxygen ion diffusion in Ba2In2O5
271
Molecular dynamics simulation of PAMAM dendrimer in aqueous solution
272
Molecular dynamics simulation of peeling a DNA molecule on substrate
273
Molecular dynamics simulation of permanent densification of fluorozirconate glass
274
Molecular dynamics simulation of phase transition in AgNO3 Original Research Article
275
Molecular dynamics simulation of phospholipid bilayer membrane
276
Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach
277
Molecular dynamics simulation of physical vapor deposition of metals onto a vertically aligned single-walled carbon nanotube surface Original Research Article
278
Molecular dynamics simulation of plastocyanin potential energy fluctuations: 1/f noise
279
Molecular dynamics simulation of polarizable carbon nanotubes
280
Molecular dynamics simulation of polycrystalline molybdenum nanowires under uniaxial tensile strain: Size effects
281
Molecular dynamics simulation of polyethylene under cyclic loading: Effect of loading condition and chain length
282
Molecular dynamics simulation of polyethylene under cyclic loading: Effect of loading condition and chain length
283
Molecular dynamics simulation of polymer film
284
Molecular dynamics simulation of polymer nanoparticle collisions: orbital angular momentum effects
285
Molecular dynamics simulation of polymorphic and polyamorphic transitions in tetrahedral network glasses: BeF2 and GeO2
286
Molecular dynamics simulation of polypyrrole film in an acetonitrile solution
287
Molecular dynamics simulation of porous layer-induced stress in Fe single crystal
288
Molecular Dynamics Simulation of Potassium along the Liquid-Vapor Coexistence Curve
289
Molecular dynamics simulation of primary irradiation defect formation in Fe–10%Cr alloy
290
Molecular dynamics simulation of processing using AFM pin tool
291
Molecular dynamics simulation of pull-in phenomena in carbon nanotubes with Stone–Wales defects
292
Molecular dynamics simulation of P–V–T relationship of ZnO with rock-salt structure using pair-wise interactions Original Research Article
293
Molecular dynamics simulation of radiation damage in bcc tungsten
294
Molecular dynamics simulation of radiation damage in glasses
295
Molecular dynamics simulation of reduced CeO2
296
Molecular dynamics simulation of replacement of CH4 in hydrate with CO2
297
Molecular dynamics simulation of ribosome jam Original Research Article
298
Molecular dynamics simulation of screw dislocations interacting with interstitial frank loops in a model FCC crystal Original Research Article
299
Molecular dynamics simulation of self-assembly structure for AOK based reverse micelle in supercritical CO2
300
Molecular dynamics simulation of shape and structure evolution of preassembled cylindrical cetyltrimethylammonium bromide micelles induced by octanol
301
Molecular dynamics simulation of shear in a pressure-induced amorphous model system
302
Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films Original Research Article
303
Molecular dynamics simulation of shearing deformation process of silicon nitride single crystal
304
Molecular dynamics simulation of shockwaves including some nonadiabatic effects
305
Molecular dynamics simulation of silicon sputtering: sensitivity to the choice of potential
306
Molecular dynamics simulation of silver nanoparticles in a europium doped sodosilicate glass
307
Molecular dynamics simulation of single asperity contact Original Research Article
308
Molecular dynamics simulation of single DNA stretching reveals a novel structure
309
Molecular dynamics simulation of small water-binding cavitands
310
Molecular dynamics simulation of sodium borosilicate glasses
311
Molecular dynamics simulation of some cyclic compounds solubilization into the nanometric core of Cetyltrimethylammonium Bromide micelle
312
Molecular dynamics simulation of squeeze-film damping effect on nano resonators in the free molecular regime
313
Molecular dynamics simulation of static crystallization and tensile deformation of bimodal HDPE/UHMWPE: Influence of long chain content
314
Molecular Dynamics Simulation of Straight-chain Alkanes Adsorption and Diffusion in Zeolite
315
Molecular dynamics simulation of stress corrosion cracking in Cu3Au
316
Molecular dynamics simulation of stress field around edge dislocations in Aluminum
317
Molecular dynamics simulation of strongly coupled QCD plasmas Original Research Article
318
Molecular dynamics simulation of structural characteristics in metal cluster deposition on surfaces
319
Molecular Dynamics Simulation of Structural Phase Transitions in RbNO3 and CsNO3
320
Molecular dynamics simulation of subsurface deformed layers in AFM-based nanometric cutting process
321
Molecular dynamics simulation of supercritical carbon dioxide fluid with the model potential from ab initio molecular orbital calculations
322
Molecular dynamics simulation of surface energy and ZDDP effects on friction in nano-scale lubricated contacts
323
Molecular Dynamics Simulation of surface vaporization in beryllium Plasma Facing Components
324
Molecular dynamics simulation of surfactant effects on ion transport through a liquid–liquid interface between partially miscible liquids
325
Molecular dynamics simulation of SWCNT–polymer nanocomposite and its constituents
326
Molecular dynamics simulation of temperature effect on dendrimer/NanoGs/PPy interface material
327
Molecular dynamics simulation of temperature effects on the mechanical properties of Carbon polycrystalline
328
Molecular dynamics simulation of temperature-induced structural changes in cristobalite, coesite and amorphous silica
329
Molecular dynamics simulation of tensile deformation of nano-single crystal aluminum
330
Molecular dynamics simulation of ternary glasses Li2O–P2O5–LiCl
331
Molecular dynamics simulation of ternary glasses Li2S–P2S5–LiI
332
Molecular dynamics simulation of the (0 0 0 1) α-Al2O3 and α-Cr2O3 surfaces
333
Molecular dynamics simulation of the activation of soft molecules solved in condensed media
334
Molecular dynamics simulation of the adhesive behavior of collagen on smooth and randomly rough TiO2 and Al2O3 surfaces
335
Molecular dynamics simulation of the adsorption of benzene on charged metal electrodes in the presence of aqueous electrolyte Original Research Article
336
Molecular dynamics simulation of the alloying reaction in Al-coated Ni nanoparticle
337
Molecular dynamics simulation of the Ba1−xGdxF2+x system in a wide temperature range
338
Molecular dynamics simulation of the dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in the fluid phase using the Nosé-Parrinello-Rahman NPT ensemble
339
Molecular dynamics simulation of the dissolution process of a cellulose triacetate-II nano-sized crystal in DMSO Original Research Article
340
Molecular dynamics simulation of the effect of heat on the conformation of bovine β-lactoglobulin A: A comparison of conventional and accelerated methods
341
Molecular dynamics simulation of the effect of nanoparticle fillers on ion motion in a polymer host
342
Molecular dynamics simulation of the effect of nanotube diameter on heat pulse propagation in thin armchair single walled carbon nanotubes
343
Molecular dynamics simulation of the effect of surface roughness and pore on linear friction welding between Ni and Al
344
Molecular dynamics simulation of the effect of the Al-O-Al linkage on the P&1macr;-I&1macr; phase transition of anorthite
345
Molecular dynamics simulation of the energy localization of an impurity solved in 1D lattice
346
Molecular dynamics simulation of the enterostatin APGPR and VPDPR peptides in water
347
Molecular dynamics simulation of the equilibrium liquid–vapor interphase with solidification
348
Molecular Dynamics Simulation of the Escherichia coli NikR Protein: Equilibrium Conformational Fluctuations Reveal Interdomain Allosteric Communication Pathways
349
Molecular dynamics simulation of the first electron transfer step in the oxygen reduction reaction
350
Molecular dynamics simulation of the formation of pharmaceutical particles by rapid expansion of a supercritical solution
351
Molecular dynamics simulation of the friction between talc (001) surfaces
352
Molecular dynamics simulation of the grain boundary sliding behaviour for Al Σ5 (2 1 0)
353
Molecular dynamics simulation of the hydration of transition metal ions: the role of non-additive effects in the hydration shells of Fe2+ and Fe3+ ions
354
Molecular dynamics simulation of the interface between self-assembled monolayers on Au(1 1 1) surface and epoxy resin
355
Molecular dynamics simulation of the interlayer sliding behavior in few-layer graphene Original Research Article
356
Molecular dynamics simulation of the ionization of hydrogen chloride in water clusters using a quantum mechanical potential
357
Molecular dynamics simulation of the isotopic mass effect in zero-fluence and low-bombarding-energy sputtering
358
Molecular dynamics simulation of the LiBF4–PEO system containing Al2O3 nanoparticles
359
Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water
360
Molecular dynamics simulation of the M intermediate of photoactive yellow protein in the crystalline state
361
Molecular dynamics simulation of the material removal mechanism in micro-EDM
362
Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys
363
Molecular dynamics simulation of the melting-like transition in K1Na54
364
Molecular dynamics simulation of the P2Y14 receptor. Ligand docking and identification of a putative binding site of the distal hexose moiety
365
Molecular dynamics simulation of the pressure–volume–temperature data of xenon for a nuclear fuel
366
Molecular dynamics simulation of the role of dislocations in microcrack healing
367
Molecular Dynamics Simulation of the SH3 Domain Aggregation Suggests a Generic Amyloidogenesis Mechanism
368
Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution
369
Molecular dynamics simulation of the solidification of liquid gold nanowires
370
Molecular dynamics simulation of the specific heat capacity of water-Cu nanofluids
371
Molecular Dynamics Simulation of the Specific Heat of Undercooled Fe-Ni Melts
372
Molecular dynamics simulation of the structural and mechanical property changes in the Brill transition of nylon 10/10 crystal
373
Molecular dynamics simulation of the structural development in sol–gel process for silica systems
374
Molecular dynamics simulation of the structure and properties of lithium phosphate glasses
375
Molecular dynamics simulation of the structure of an ion-conducting PEO-based solid polymer electrolyte
376
Molecular dynamics simulation of the thermal conductivities of Si nanowires with various roughnesses
377
Molecular dynamics simulation of the thermodynamic and transport properties of the molten salt fast reactor fuel LiF–ThF4
378
Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni50Al50 alloy
379
Molecular dynamics simulation of the unfolding of the human prion protein domain under low pH and high temperature conditions Original Research Article
380
Molecular dynamics simulation of the α-recoil nucleus displacement cascade in zirconolite
381
Molecular dynamics simulation of thermal and thermomechanical phenomena in picosecond laser material interaction
382
Molecular dynamics simulation of thermal conductivity of nanocrystalline composite films
383
Molecular dynamics simulation of thermodynamic and thermal transport properties of strontium titanate with improved potential parameters
384
Molecular dynamics simulation of thermodynamic properties of NaCl at high pressures and temperatures Original Research Article
385
Molecular dynamics simulation of thermomechanical coupling in cholesteric liquid crystals
386
Molecular dynamics simulation of triaxial compression of C60 and C80 solids Original Research Article
387
Molecular dynamics simulation of triple junction migration Original Research Article
388
Molecular dynamics simulation of two photon-absorbing polyimides: Evidence for the formation of intra- and inter-chain dimers
389
Molecular dynamics simulation of UO2 nanocrystals melting under isolated and periodic boundary conditions
390
Molecular dynamics simulation of UO2 nanocrystals surface
391
Molecular dynamics simulation of vanadium using an interatomic potential fitted to finite temperature properties
392
Molecular dynamics simulation of vaporization of an ultra-thin liquid argon layer on a surface
393
Molecular dynamics simulation of viscosity in supercooled liquid and glassy AgCu alloy
394
Molecular dynamics simulation of vitreous state by ionic pair potentials
395
Molecular dynamics simulation of water between hydrophobic surfaces. Implication for the long-range hydrophobic force
396
Molecular Dynamics Simulation of Water in Single WallCarbon Nanotube
397
Molecular dynamics simulation of wetting and interfacial behaviors of argon fluid confined in smooth and groove-patterned rough nano-channels
398
Molecular dynamics simulation of wetting on modified amorphous silica surface
399
Molecular dynamics simulation of Xe bubble nucleation in nanocrystalline UO2 nuclear fuel
400
Molecular dynamics simulation of Y-doped (sigma)37 grain boundary in alumina
401
Molecular dynamics simulation of Y-doped Σ37 grain boundary in alumina Original Research Article
402
Molecular dynamics simulation on boron diffusion in diamond
403
Molecular dynamics simulation on bubble formation in a nanochannel
404
Molecular dynamics simulation on double-elastic deformation of zigzag graphene nanoribbons at low temperature
405
Molecular dynamics simulation on edge dislocation in the bulk and nanoparticles of iron
406
Molecular dynamics simulation on ionic conduction process of oxygen in Ce1−xMxO2−x/2
407
Molecular dynamics simulation on nanotribological properties of molecular deposition film during the scan process
408
Molecular dynamics simulation on rapid boiling of water on a hot copper plate
409
Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol
410
Molecular dynamics simulation on the buckling behavior of GaN nanowires under uniaxial compression
411
Molecular dynamics simulation on the buckling behavior of silicon nanowires under uniaxial compression
412
Molecular dynamics simulation on the effect of the distance between SWCNTs for short polymers diffusion among single wall carbon nanotubes
413
Molecular dynamics simulation on the energy exchanges and adhesion probability of a nano-sized particle colliding with a weakly attractive static surface
414
Molecular dynamics simulation on the failure mechanism of Y-junction single-walled carbon nanotubes
415
Molecular dynamics simulation on the interaction of CeO2 and silane coupling agent in solutions
416
Molecular dynamics simulation on the interfacial features of phenol extraction by TBP/dodecane in water
417
Molecular dynamics simulation on the short-range structure of ZnBr2–ZnCl2 melt Original Research Article
418
Molecular dynamics simulation studies of binary blend miscibility of poly(3-hydroxybutyrate) and poly(ethylene oxide)
419
Molecular dynamics simulation studies of structural and dynamical properties of rapidly quenched Al
420
Molecular dynamics simulation study of a liquid crystal model: Gay-Berne particles with transverse dipole moments
421
Molecular dynamics simulation study of benzene adsorption to montmorillonite: Influence of the hydration status
422
Molecular dynamics simulation study of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound Original Research Article
423
Molecular dynamics simulation study of deep hole drilling in iron by ultrashort laser pulses
424
Molecular dynamics simulation study of microstructure evolution during cyclic martensitic transformations
425
Molecular dynamics simulation study of neon adsorption on single-walled carbon nanotubes
426
Molecular dynamics simulation study of oriented polyamine- and Na-DNA: Sequence specific interactions and effects on DNA structure
427
Molecular dynamics simulation study of polar liquid crystal molecules in slit pores
428
Molecular dynamics simulation study of primary damage in UO2 produced by cascade overlaps
429
Molecular dynamics simulation study of proton diffusion in polymer electrolyte membranes based on sulfonated poly (ether ether ketone)
430
Molecular dynamics simulation study of structural, elastic and thermodynamic properties of tin below 286 K
431
Molecular dynamics simulation study of the growth of a rough amorphous carbon film by the grazing incidence of energetic carbon atoms Original Research Article
432
Molecular dynamics simulation study of the vanillate transport channel of Opdk
433
Molecular dynamics simulation study of thermodynamic and mechanical properties of the Cu–Pd random alloy
434
Molecular dynamics simulation study of valyl-tRNA synthetase with its pre- and post-transfer editing substrates Original Research Article
435
Molecular dynamics simulation study on cross-type graphene resonator
436
Molecular dynamics simulation study on graphene-nanoribbon-resonators tuned by adjusting axial strain
437
Molecular dynamics simulation study on mechanical responses of nanoindented monolayer-graphene-nanoribbon
438
Molecular dynamics simulation study on the hydrogen adsorption and diffusion in non-interpenetrating and interpenetrating IRMOFs
439
Molecular dynamics simulation study on the interaction of KRN 7000 and three analogues with human CD1d
440
Molecular dynamics simulation study on the superheating of coated argon clusters
441
Molecular dynamics simulation study on water associated with π-electrons of benzene by using QM/MM potential
442
Molecular Dynamics Simulation, Characterization and In Vitro Drug Release of Isoniazid Loaded Poly-ε-caprolactone Magnetite Nanocomposite
443
Molecular Dynamics Simulation: the Effect of Graphene on the Mechanical Properties of Epoxy Based Photoresist: SU8
444
Molecular dynamics simulations and experimental studies of the thermomechanical response of an epoxy thermoset polymer
445
Molecular Dynamics Simulations and Free Energy Analyses on the Dimer Formation of an Amyloidogenic Heptapeptide from Human β2-Microglobulin: Implication for the Protofibril Structure
446
Molecular dynamics simulations and integral equations studies of model systems for aqueous mixtures of small alcohols
447
Molecular dynamics simulations and structural comparisons of amorphous poly(ethylene oxide) and poly(ethylenimine) models
448
Molecular Dynamics Simulations and Structure-Guided Mutagenesis Provide Insight into the Architecture of the Catalytic Core of the Ectoine Hydroxylase
449
Molecular dynamics simulations and thermodynamic modeling of NaCl–KCl–ZnCl2 ternary system
450
Molecular dynamics simulations based on reactive force-fields for surface chemical reactions
451
Molecular Dynamics Simulations for Actin Monomers in Solution
452
Molecular dynamics simulations for glutamate-binding and cleft-closing processes of the ligand-binding domain of GluR2 Original Research Article
453
Molecular dynamics simulations for the AgrCu 111/ system: from segregated to constitutive interfacial vacancies
454
Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry
455
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions
456
Molecular dynamics simulations in membrane-based water treatment processes: A systematic overview
457
Molecular dynamics simulations in the multibaric–multithermal ensemble
458
Molecular dynamics simulations of 1/2 a〈1 1 1〉 screw dislocation in Ta
459
Molecular dynamics simulations of 1/2 a〈1 1 1〉 screw dislocation in Ta
460
Molecular dynamics simulations of a cyclic-DP-240 amylose fragment in a periodic cell: Glass transition temperature and water diffusion
461
Molecular dynamics simulations of a cyclic-DP-240 amylose fragment in a periodic cell: Glass transition temperature and water diffusion
462
Molecular dynamics simulations of a cyclic-β-(1→2) glucan containing an α-(1→6) linkage as a ‘molecular alleviator’ for the macrocyclic conformational strain Original Research Article
463
Molecular dynamics simulations of a fibrillogenic peptide derived from apolipoprotein C-II Original Research Article
464
Molecular dynamics simulations of a guaiacyl (beta)-O-4 lignin model compound: Examination of intramolecular hydrogen bonding and conformational flexibility
465
Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia Original Research Article
466
Molecular dynamics simulations of adsorption of hydrophobic 1,2,4-trichlorobenzene (TCB) on hydrophilic TiO2 in surfactant emulsions and experimental process efficiencies of photo-degradation and -dechlorination
467
Molecular dynamics simulations of Al–Al2Cu phase boundaries
468
Molecular Dynamics Simulations of Alkylsilane StationaryPhase Order and Disorder. 1. Effects of Surface Coverage and Bonding Chemistry
469
Molecular Dynamics Simulations of Alkylsilane StationaryPhase Order and Disorder. 2. Effects of Temperature and Chain Length
470
Molecular Dynamics Simulations of Alzheimerʹs β-Amyloid Protofilaments
471
Molecular dynamics simulations of an apoliprotein A–I derived peptide in explicit water
472
Molecular dynamics simulations of an oligosaccharide using a force field modified for carbohydrates
473
Molecular dynamics simulations of AOT at isooctane/water interface
474
Molecular dynamics simulations of aqueous NaCl solutions at high pressures and temperatures
475
Molecular dynamics simulations of atomic carbon on tungsten surface
476
Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica
477
Molecular dynamics simulations of atomic-scale tribology between amorphous DLC and Si-DLC films
478
Molecular dynamics simulations of B′-DNA: sequence effects on A-tract-induced bending and flexibility
479
Molecular dynamics simulations of basal and pyramidal system edge dislocations in sapphire
480
Molecular dynamics simulations of binary collisions between water clusters
481
Molecular dynamics simulations of boron-nitride nanotubes embedded in amorphous Si-B-N
482
Molecular dynamics simulations of brittle fracture in fcc crystalline materials in the presence of defects
483
Molecular dynamics simulations of C2, C2H, C2H2, C2H3, C2H4, C2H5, and C2H6 bombardment of diamond (1 1 1) surfaces
484
Molecular dynamics simulations of C60 nanobearings
485
Molecular dynamics simulations of CaCO3 melts to mantle pressures and temperatures: implications for carbonatite magmas
486
Molecular dynamics simulations of calcium aluminate glasses
487
Molecular dynamics simulations of calcium binding in gramicidin A
488
Molecular dynamics simulations of carbohydrate-mimetic haptens in complex with a complementary anti-carbohydrate antibody Original Research Article
489
Molecular dynamics simulations of carbon nanotube dispersions in water: Effects of nanotube length, diameter, chirality and surfactant structures
490
Molecular dynamics simulations of cathode/glass interface behavior: effect of orientation on phase transformation, Li migration, and interface relaxation
491
Molecular dynamics simulations of CFx (x = 2, 3) molecules at Si3N4 and SiO2 surfaces
492
Molecular dynamics simulations of CH3 sticking on carbon first wall structures
493
Molecular dynamics simulations of CH3 sticking on carbon surfaces, angular and energy dependence
494
Molecular dynamics simulations of cinchonidine-modified platinum in ethanol: comparisons with surface studies
495
Molecular dynamics simulations of cis-trans isomerization for a proline-containing tripeptide in solution Original Research Article
496
Molecular dynamics simulations of collagen adsorption onto grooved rutile surface: The effects of groove width
497
Molecular dynamics simulations of compressive yielding in cross-linked epoxies in the context of Argon theory
498
Molecular dynamics simulations of cyclodextrin–cumene hydroperoxide complexes in water
499
Molecular dynamics simulations of cyclohenicosakis-[(1→2)-β-d-gluco-henicosapyranosyl], a cyclic (1→2)-β-d-glucan (a ‘cyclosophoraose’) of DP 21 Original Research Article
500
Molecular dynamics simulations of defective CNT-polyethylene composite systems
501
Molecular dynamics simulations of deformation in nanocrystalline Al–Pb alloys
502
Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene
503
Molecular dynamics simulations of densification processes in nanocrystalline materials
504
Molecular dynamics simulations of densification processes in nanocrystalline materials
505
Molecular dynamics simulations of DFZ
506
Molecular dynamics simulations of diffusion mechanisms in NiAl Original Research Article
507
Molecular dynamics simulations of dislocation interaction with voids in nickel
508
Molecular dynamics simulations of dislocations and nanocrystals
509
Molecular dynamics simulations of DNA curvature and flexibility: Helix phasing and premelting
510
Molecular dynamics simulations of droplet evaporation Original Research Article
511
Molecular dynamics simulations of dynamic force microscopy: applications to the Si 111/-7=7 surface
512
Molecular dynamics simulations of edge cracks in copper and aluminum single crystals
513
Molecular dynamics simulations of energetic aluminum cluster deposition
514
Molecular dynamics simulations of evolved collective motions of atoms in the myosin motor domain upon perturbation of the ATPase pocket Original Research Article
515
Molecular Dynamics Simulations of Freezing Behavior of Pure Water and 14% Water-NaCl Mixture Using the Coarse-Grained Model
516
Molecular dynamics simulations of functionalized carbon nanotubes in water: Effects of type and position of functional groups
517
Molecular dynamics simulations of glide dislocations induced by misfit dislocations at the Ni/Al interface
518
Molecular dynamics simulations of glycosides in aqueous solution
519
Molecular dynamics simulations of glycosyltransferase LgtC Original Research Article
520
Molecular dynamics simulations of grain boundary sliding: The effect of stress and boundary misorientation Original Research Article
521
Molecular dynamics simulations of grain size stabilization in nanocrystalline materials by addition of dopants
522
Molecular dynamics simulations of grain size stabilization in nanocrystalline materials by addition of dopants Original Research Article
523
Molecular dynamics simulations of granular chute flow Original Research Article
524
Molecular dynamics simulations of heat and momentum transfer at a solid–fluid interface: Relationship between thermal and velocity slip
525
Molecular dynamics simulations of HPr under hydrostatic pressure
526
Molecular dynamics simulations of hypersonic velocity impact protection properties of CNT/a-SiC composites
527
Molecular dynamics simulations of imidazolium-based ionic liquid/water mixtures: Alkyl side chain length and anion effects
528
Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni
529
Molecular dynamics simulations of ion-irradiation induced deflection of 2D graphene films
530
Molecular dynamics simulations of ionized cluster beam deposition: case of study of aluminum
531
Molecular Dynamics Simulations of Iron-Joining Using Copper as a Filler Metal
532
Molecular dynamics simulations of Krytox-Silica–Nafion composite for high temperature fuel cell electrolyte membranes
533
Molecular dynamics simulations of lattice thermal conductivity and spectral phonon mean free path of PbTe: Bulk and nanostructures
534
Molecular dynamics simulations of Li transport between cathode crystals
535
Molecular dynamics simulations of lipid bilayers
536
Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer Original Research Article
537
Molecular dynamics simulations of lung surfactant lipid monolayers Original Research Article
538
Molecular dynamics simulations of m3-muscarinic receptor activation and QSAR analysis Original Research Article
539
Molecular dynamics simulations of maltose in water
540
Molecular dynamics simulations of mechanical properties for Cu(0 0 1)/Ni(0 0 1) twist boundaries
541
Molecular dynamics simulations of melting behavior of alkane as phase change materials slurry
542
Molecular dynamics simulations of metal–cyanide complexes: Fundamental considerations in gold hydrometallurgy
543
Molecular dynamics simulations of metal-organic frameworks as membranes for gas mixtures separation
544
Molecular dynamics simulations of Mg-doped beta″-alumina with potential models fitted for accurate structural response to thermal vibrations
545
Molecular dynamics simulations of microstructure and mixing dynamics of cryoprotective solvents in water and in the presence of a lipid membrane Original Research Article
546
Molecular dynamics simulations of molecular beam deflection experiments
547
Molecular dynamics simulations of molten calcium hydroxyapatite
548
Molecular dynamics simulations of monoclinic calcium apatites: A universal equation of state
549
Molecular dynamics simulations of motion of edge and screw dislocations in a metal
550
Molecular dynamics simulations of Na+ and Cl− ions solvation in aqueous mixtures of formamide Original Research Article
551
Molecular dynamics simulations of nanocarbons at high pressure and temperature Original Research Article
552
Molecular dynamics simulations of nano-encapsulated and nanoparticle-enhanced thermal energy storage phase change materials
553
Molecular dynamics simulations of nanoindentation of -SiC with diamond indenter
554
Molecular dynamics simulations of nanomemory element based on boron-nitride nanotube-to-peapod transition
555
Molecular dynamics simulations of nanoscratching of 3C SiC
556
Molecular dynamics simulations of nonequilibrium rate constant in a model exothermic reaction
557
Molecular dynamics simulations of organic photovoltaic materials: Investigating the formation of π-stacked thiophene clusters in oligothiophene/fullerene blends
558
Molecular dynamics simulations of oscillatory flows in microfluidic channels
559
Molecular dynamics simulations of oxide surfaces in water
560
Molecular dynamics simulations of oxidized vapor-grown carbon nanofiber surface interactions with vinyl ester resin monomers Original Research Article
561
Molecular dynamics simulations of oxygen ion diffusion and superionic conduction in ytterbia-stabilized zirconia
562
Molecular dynamics simulations of oxygen ion diffusion in yttria-stabilized zirconia
563
Molecular dynamics simulations of papilloma virus E2 DNA sequences: Dynamical models for oligonucleotide structures in solution
564
Molecular dynamics simulations of pea (Pisum sativum) lectin structure with octyl glucoside detergents: The ligand interactions and dynamics Original Research Article
565
Molecular dynamics simulations of peptide adsorption on self-assembled monolayers
566
Molecular dynamics simulations of phase transition between high-temperature and high-pressure clinoenstatite
567
Molecular dynamics simulations of plastic deformation in Nb/NbC multilayers
568
Molecular dynamics simulations of point defect interactions in Fe–Cr alloys
569
Molecular dynamics simulations of poly(alkylthiophenes): An overall view of some recent results
570
Molecular dynamics simulations of polymeric structure and alcohol-membrane surface affinity of aromatic polyamide membranes
571
Molecular dynamics simulations of quasi-brittle crack development in iron
572
Molecular dynamics simulations of rare-earth-doped glasses
573
Molecular dynamics simulations of rate-dependent grain growth during the surface indentation of nanocrystalline nickel
574
Molecular dynamics simulations of reactive wetting in metal–ceramic systems Original Research Article
575
Molecular dynamics simulations of real systems: application to chloro-fluoro-hydrocarbons and polymers
576
Molecular dynamics simulations of reduced CeO2: bulk and surfaces
577
Molecular dynamics simulations of self-diffusion coefficient and thermal conductivity of methane at low and moderate densities
578
Molecular dynamics simulations of sessile and pendant droplets' shape on inclined and curved surfaces
579
molecular dynamics simulations of sessile and pendant droplets’ shape on inclined and curved surfaces
580
Molecular dynamics simulations of shock compression of nickel: From monocrystals to nanocrystals Original Research Article
581
Molecular dynamics simulations of Si/Ge cluster condensation
582
Molecular dynamics simulations of silicate slags and slag–solid interfaces
583
Molecular dynamics simulations of sliding in an Fe–Cu tribopair system
584
Molecular dynamics simulations of sodium silicate glasses: Optimization and limits of the computational procedure
585
Molecular dynamics simulations of solid state recrystallization I: Observation of grain growth in annealed iron nanoparticles
586
Molecular dynamics simulations of solid–liquid phase transition in small water aggregates
587
Molecular dynamics simulations of spontaneous bile salt aggregation
588
Molecular dynamics simulations of sputtering of organic overlayers by slow, large clusters
589
Molecular dynamics simulations of strongly coupled particle beams
590
Molecular dynamics simulations of structural disordering and forming defects in a milling process for selenium
591
Molecular dynamics simulations of supercritical water at the iron hydroxide surface
592
Molecular dynamics simulations of surface diffusion and growth on silver and gold clusters
593
Molecular dynamics simulations of swift heavy ion induced defect recovery in SiC
594
Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes Original Research Article
595
Molecular dynamics simulations of the amyloid-beta binding alcohol dehydrogenase (ABAD) enzyme Original Research Article
596
Molecular dynamics simulations of the aqueous solution of tetramethylammonium chloride
597
Molecular dynamics simulations of the atomistic structure of the intergranular film between silicon nitride grains: Effect of composition, thickness, and surface vacancies
598
Molecular dynamics simulations of the bacterial periplasmic heme binding proteins ShuT and PhuT Original Research Article
599
Molecular dynamics simulations of the bulk phases of 4-cyano-4′-n-pentyloxybiphenyl Original Research Article
600
Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus
601
Molecular dynamics simulations of the condensation coefficient of water
602
Molecular dynamics simulations of the contact angle between water droplets and graphite surfaces
603
Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten
604
Molecular dynamics simulations of the diffusion of benzene sub-monolayer films on graphite basal plane surfaces Original Research Article
605
Molecular Dynamics Simulations of the Dynamics of Correlations and Relaxation in an OCP
606
Molecular dynamics simulations of the dynamics of ions in single and mixed alkali glasses
607
Molecular dynamics simulations of the effect of deuterium on tungsten erosion by oxygen
608
Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor
609
Molecular dynamics simulations of the effect of the volume fraction on unidirectional polyimide–carbon nanotube nanocomposites
610
Molecular dynamics simulations of the elastic moduli of polymer–carbon nanotube composites Original Research Article
611
Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites
612
Molecular dynamics simulations of the electrical double layer at the 1 M KCl solution ∣ Hg electrode interface
613
Molecular dynamics simulations of the failure behaviors of closed carbon nanotubes fully filled with C60 fullerenes
614
Molecular Dynamics simulations of the formation and crystallization of amorphous Si
615
Molecular dynamics simulations of the friction experienced by graphene flakes in rotational motion
616
Molecular dynamics simulations of the glass transition in polymer melts
617
Molecular Dynamics Simulations of the Influenza Hemagglutinin Fusion Peptide in Micelles and Bilayers: Conformational Analysis of Peptide and Lipids
618
Molecular dynamics simulations of the interaction between Fe3O4 and biocompatible polymer
619
Molecular dynamics simulations of the interaction of glucose with imidazole in aqueous solution Original Research Article
620
Molecular dynamics simulations of the interactions and dispersion of carbon nanotubes in polyethylene oxide/water systems
621
Molecular dynamics simulations of the interactions between SWNT and surfactants
622
Molecular dynamics simulations of the interactions between β-cyclodextrin derivatives and single-walled carbon nanotubes
623
Molecular dynamics simulations of the isolated β subunit of F1-ATPase
624
Molecular dynamics simulations of the martensitic phase transition process
625
Molecular dynamics simulations of the micro-solvation of ions and molecules during cluster–surface collisions
626
Molecular dynamics simulations of the nanoindentation process of titanium crystal
627
Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals
628
Molecular dynamics simulations of the penetration lengths: application within the fluctuation theory for diffusion coefficients
629
Molecular dynamics simulations of the phase transition between low-temperature and high-temperature clinoenstatites
630
Molecular dynamics simulations of the preparation and deformation of nanocrystalline copper Original Research Article
631
Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs Original Research Article
632
Molecular dynamics simulations of the scratch test on linear amorphous polymer surfaces: A study of the local friction coefficient
633
Molecular dynamics simulations of the sputtering of SiC and Si3N4
634
Molecular dynamics simulations of the sputtering process of silicon and the homoepitaxial growth of a Si coating on silicon
635
Molecular dynamics simulations of the stability of and defects in ZnO nanosheets
636
Molecular dynamics simulations of the structural, elastic and thermodynamic properties of cubic BBi
637
Molecular dynamics simulations of the structure of aldose reductase complexed with the inhibitor tolrestat
638
Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water
639
Molecular dynamics simulations of the temperature effect in the hardness on Cr and CrN films
640
Molecular dynamics simulations of the tensile and melting behaviours of silicon nanowires
641
Molecular Dynamics Simulations of the Tetracycline-repressor Protein: The Mechanism of Induction
642
Molecular dynamics simulations of the transformation of carbon peapods into double-walled carbon nanotubes Original Research Article
643
Molecular dynamics simulations of the Trp repressor–DNA complex and the AV77 mutant Original Research Article
644
Molecular dynamics simulations of the vibrational relaxation of I2 in Xe on an ab initio-based potential function
645
Molecular Dynamics Simulations of Transducin: Interdomain and Front to Back Communication in Activation and Nucleotide Exchange
646
Molecular dynamics simulations of trehalose as a ‘dynamic reducer’ for solvent water molecules in the hydration shell Original Research Article
647
Molecular dynamics simulations of tubulin structure and calculations of electrostatic properties of microtubules
648
Molecular dynamics simulations of ultra-thin Cu nanowires
649
Molecular dynamics simulations of urea and thermal-induced denaturation of S-peptide analogue Original Research Article
650
Molecular dynamics simulations of vinyl ester resin monomer interactions with a pristine vapor-grown carbon nanofiber and their implications for composite interphase formation Original Research Article
651
Molecular Dynamics Simulations of Viral RNA Polymerases Link Conserved and Correlated Motions of Functional Elements to Fidelity
652
Molecular dynamics simulations of void growth and coalescence in single crystal magnesium Original Research Article
653
Molecular dynamics simulations of void growth in γ-TiAl single crystal
654
Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm
655
Molecular dynamics simulations of water and ion dynamics in the electrochemical double layer
656
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model Original Research Article
657
Molecular dynamics simulations of Y in silicate melts and implications for trace element partitioning
658
Molecular dynamics simulations of yttria-stabilized zirconia
659
Molecular dynamics simulations of α- to β-poly(vinylidene fluoride) phase change by stretching and poling
660
Molecular dynamics simulations on atomic friction between self-assembled monolayers: Commensurate and incommensurate sliding
661
Molecular dynamics simulations on constraint metal binding peptides
662
Molecular dynamics simulations on cyclic deformation of an epoxy thermoset
663
Molecular Dynamics Simulations on Discoidal HDL Particles Suggest a Mechanism for Rotation in the Apo A-I Belt Model
664
Molecular dynamics simulations on inclusion complexes for chiral enantiomers with heterocyclic cyclodecapeptide
665
Molecular dynamics simulations on nanoindentation mechanisms of multilayered films
666
Molecular dynamics simulations on oxygen ion diffusion in strained YSZrCeO superlattice
667
Molecular Dynamics Simulations on Polymeric Nanocomposite Membranes Designed to Deliver Pipobromane Anticancer Drug
668
Molecular dynamics simulations on the adsorption and surface phenomena of simple fluid in porous media
669
Molecular dynamics simulations on the effect of temperature and loading in H2 exohedral adsorption on and SWCNTs
670
Molecular dynamics simulations on the interaction between polymers and hydroxyapatite with and without coupling agents
671
Molecular dynamics simulations reveal insight into key structural elements of aaptamines as sortase inhibitors with free energy calculations
672
Molecular dynamics simulations study on the melting process of n-heptane layer(s) adsorbed on the graphite (0 0 1) surface
673
Molecular Dynamics Simulations To Determine the Effect of Supercritical Carbon Dioxide on the Structural Integrity of Hen Egg White Lysozyme
674
Molecular dynamics simulations to explore the role of mass matching in the keV bombardment of organic films with polyatomic projectiles
675
Molecular dynamics simulations to investigate polymer–polymer and polymer–metal oxide interactions
676
Molecular dynamics simulations with many-body potentials on multiple GPUs—The implementation, package and performance Original Research Article
677
Molecular Dynamics Studies of a Molecular Switch in the Glucocorticoid Receptor
678
Molecular dynamics studies of actinide nitrides
679
Molecular dynamics studies of brittle fracture in vitreous silica: Review and recent progress
680
Molecular dynamics studies of combined carbon/electrolyte/lithium-metal oxide interfaces
681
Molecular dynamics studies of dissociation of O2 on Ag(111) surface Original Research Article
682
Molecular Dynamics Studies of Human P-Glucuronidase
683
Molecular dynamics studies of NaCl solutions in methanol–water mixtures.: An effect of NaCl on hydrogen bonded network Original Research Article
684
Molecular dynamics studies of phase transition of KI clusters Original Research Article
685
Molecular dynamics studies of phonon spectra in mono- and bimetallic nanoclusters
686
Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes
687
Molecular dynamics studies of swimming at the microscopic scale Original Research Article
688
Molecular dynamics studies of temperature effects on low energy helium bombardments on tungsten surfaces
689
Molecular dynamics studies of the conformation of sorbitol Original Research Article
690
Molecular dynamics studies of the influence of single wall carbon nanotubes on the mechanical properties of Poly(vinylidene fluoride)
691
Molecular Dynamics Studies of the Kinetics of Phase Changes in Clusters II: Crystal Nucleation from Molten (RbCl)256 and (RbCl)500 Clusters
692
Molecular Dynamics Studies of the Kinetics of Phase Changes in Clusters II: Crystal Nucleation from Molten (RbCl)256 and (RbCl)500 Clusters
693
Molecular Dynamics Studies of the Kinetics of Phase Changes in Clusters: Crystal Nucleation of (RbCl)108 Clusters at 600, 550, and 500 K
694
Molecular Dynamics Studies of the Process of Amyloid Aggregation of Peptide Fragments of Transthyretin
695
Molecular dynamics studies of the sputtering of divertor materials
696
Molecular dynamics studies of ultrafast laser-induced phase and structural change in crystalline silicon
697
Molecular dynamics studies of vitreous boron oxide
698
Molecular dynamics studies on dislocations in crystallites of nanocrystalline α-iron
699
Molecular dynamics studies on monolayer of cetyltrimethylammonium bromide surfactant formed at the air/water interface
700
Molecular dynamics studies on octadecylammonium chloride at the air/liquid interface
701
Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration
702
Molecular dynamics studies on the effects of water speciation on interfacial structure and dynamics in silica-filled PDMS composites
703
Molecular dynamics studies on the mutational structures of a nylon-6 byproduct-degrading enzyme
704
Molecular dynamics studies on the structure of methanol-water solutions of NaCl Original Research Article
705
Molecular dynamics study and normal mode analysis of diffuse scattering in quartz
706
Molecular dynamics study for diffusion process in amorphous and supercooled liquid zr67ni33 alloys
707
Molecular dynamics study for diffusion process in amorphous and supercooled liquid zr67ni33 alloys
708
Molecular dynamics study of ‘contact epitaxy’ in Ag clusters supported on a copper (001) surface
709
Molecular dynamics study of a classical two-dimensional electron system: positional and orientational orders
710
Molecular dynamics study of a new mechanism for ripple formation on graphene nanoribbons at very low temperatures based on H2 physisorption
711
Molecular dynamics study of acoustic velocity in silicate glass under irradiation
712
Molecular dynamics study of adhesion strength and diffusion at interfaces between interconnect materials and underlay materials
713
Molecular dynamics study of amorphous InSb
714
Molecular dynamics study of an iodide and a lithium ion at the water-liquid mercury interface
715
Molecular dynamics study of atomistic mechanisms of wearless friction determining threshold sliding velocity Original Research Article
716
Molecular dynamics study of bimetallic nanoparticles: the case of AuxCuy alloy clusters
717
Molecular dynamics study of biphenyl and 3,5,3′,5′-tetrafluorobiphenyl in CCl4 solution
718
Molecular dynamics study of carbohydrate binding module mutants of fungal cellobiohydrolases Original Research Article
719
Molecular dynamics study of carbon-nanotube shuttle-memory on graphene nanoribbon array
720
Molecular dynamics study of cluster impact on the (0 0 1) and (1 1 0) surfaces of fcc metals
721
Molecular dynamics study of crystals with ferroic phase transitions
722
Molecular Dynamics study of Cu and Au 2D adlayers on the Cu3Au(1 1 0) surface
723
Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni50Al50 alloy
724
Molecular dynamics study of diffusion and atomic configuration in layered structures for Al circuit interconnects
725
Molecular dynamics study of diffusion of formaldehyde in ice
726
Molecular dynamics study of diffusional creep in nanocrystalline UO2 Original Research Article
727
Molecular dynamics study of dimer flipping on perfect and defective Si(0 0 1) surfaces
728
Molecular dynamics study of dimer flipping on perfect and defective Si(0 0 1) surfaces
729
Molecular dynamics study of dynamic contact and separation between tip and disk surface
730
Molecular dynamics study of effects of intertube spacing on sliding behaviors of multi-walled carbon nanotube
731
Molecular Dynamics Study of Explosive Crystallization of SiGe and Boron-Doped SiGe Alloys
732
Molecular dynamics study of heparin based coatings
733
Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density
734
Molecular dynamics study of hydrated alkali and halide ions in liquid nitrobenzene
735
Molecular dynamics study of hydration of the protein interior Original Research Article
736
Molecular dynamics study of hydrogen adsorption in carbonaceous microporous materials and the effect of oxygen functional groups
737
Molecular dynamics study of icosahedral ordering and defect in the Ni3Al liquid and glasses
738
Molecular dynamics study of infinitely dilute aqueous solutions of small biological molecules. Calculation of the static and dynamic properties of formaldehyde Original Research Article
739
Molecular dynamics study of influence of vacancy types defects on thermal conductivity of β-SiC
740
Molecular dynamics study of interactions between noncontact copper and silicon nano-films with lateral movement
741
Molecular dynamics study of interfacial bonding strength of self-assembled monolayer-coated Au-epoxy and Au–Au systems
742
Molecular dynamics study of ion migration mechanism in rubidium nitrate
743
Molecular Dynamics study of ionic nano-clusters produced from supercritical solutions
744
Molecular dynamics study of liquid metal infiltration during brazing Original Research Article
745
Molecular dynamics study of mass accommodation of methanol at liquid–vapor interfaces of methanol/water binary solutions of various concentrations
746
Molecular dynamics study of mechanical and thermodynamic properties of pentaerythritol tetranitrate
747
Molecular dynamics study of mechanical extension of polyalanine by AFM cantilever
748
Molecular dynamics study of mixed alkanethiols covering a gold surface at three different arrangements
749
Molecular dynamics study of mixed oxide fuel
750
Molecular dynamics study of monomer and dimer emission processes with high energy gas cluster ion impact
751
Molecular dynamics study of multi-walled carbon nanotubes under uniaxial loading
752
Molecular dynamics study of nanoparticle evolution in a background gas under laser ablation conditions
753
Molecular dynamics study of nanoscale structure formation in droplet spreading on solid surfaces
754
Molecular dynamics study of nano-size silica melting by high heat flux
755
Molecular dynamics study of neutral and charged water clusters
756
Molecular dynamics study of neutral and multiply charged sodium clusters
757
Molecular dynamics study of nucleation in supersaturated vapor of carbon dioxide
758
Molecular dynamics study of optimal packing structure of OTS self-assembled monolayers on SiO2 surfaces
759
Molecular dynamics study of oxygen self-diffusion in reduced CeO2
760
Molecular dynamics study of oxygen transport and thermal properties of mixed oxide fuels
761
Molecular dynamics study of particle emission by reactive cluster ion impact
762
Molecular dynamics study of phase transfer catalyst for ion transfer through water–chloroform interface
763
Molecular dynamics study of photochromic molecules probed by the mask pattern transferred transient grating technique
764
Molecular dynamics study of polyether polyamino methylene phosphonates as an inhibitor of anhydrite crystal Original Research Article
765
Molecular dynamics study of polygalacturonic acid chains in aqueous solution
766
Molecular dynamics study of pressure effect on glass formation and the crystallization in liquid CuNi alloy
767
Molecular dynamics study of pressure-induced transformation of quartz-type GeO2
768
Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle
769
Molecular dynamics study of scratching velocity dependency in AFM-based nanometric scratching process
770
Molecular dynamics study of selective adsorption of PCB on activated carbon
771
Molecular dynamics study of solute strengthening in Al/Mg alloys
772
Molecular dynamics study of sorbate diffusion in a simple porous membrane containing microporous nanocrystals and mesopores
773
Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential
774
Molecular dynamics study of structural changes in berlinite
775
Molecular dynamics study of structural changes in freezing clusters
776
Molecular dynamics study of structural properties of β-sheet assemblies formed by synthetic de novo oligopeptides
777
Molecular dynamics study of structure formation at spreading of nanodroplets composed of rod-like molecules
778
Molecular dynamics study of structure formation of a single polymer chain by cooling Original Research Article
779
Molecular dynamics study of structure of clusters in supercritical Lennard–Jones fluid
780
Molecular dynamics study of structure transformation and H effects in irradiated silica
781
Molecular dynamics study of surface effect on martensitic cubic-to-tetragonal transformation in Ni–Al alloy
782
Molecular Dynamics Study of Surfactin Interaction with Lipid Bilayer Membranes
783
Molecular dynamics study of SWNT growth on catalyst particles without temperature gradients
784
Molecular dynamics study of temperature behavior in a graphene nanoribbon
785
Molecular dynamics study of temperature dependence of volume of amorphous silica
786
Molecular dynamics study of the conformation and dynamics of precisely branched polyethylene
787
Molecular dynamics study of the copper cluster deposition on a Cu(0 1 0) surface
788
Molecular dynamics study of the crystal structure and phase relation of the GeO2 polymorphs
789
Molecular dynamics study of the crystallisation of metastable fluids
790
Molecular Dynamics Study of the Cu–Water IInterface in the Presence of Chlorine
791
molecular dynamics study of the cyanoadamantane molecules between basal planes of graphite
792
Molecular dynamics study of the dynamical behavior in ionic liquids through interionic interactions
793
Molecular dynamics study of the effect of pressure on the terahertz-region infrared spectrum of crystalline pentaerythritol tetranitrate
794
Molecular dynamics study of the effect of solvent types on the dynamic properties of polymer chains in solution Original Research Article
795
Molecular dynamics study of the effects of adsorbed molecules on reaction probability and energy transfer
796
Molecular Dynamics study of the effects of non-stoichiometry and oxygen Frenkel pairs on the thermal conductivity of uranium dioxide
797
Molecular dynamics study of the equilibrium flux of gas molecules to a fractal/rough surface Effects of gas atom diameter
798
Molecular dynamics study of the fibril elongation of the prion protein fragment PrP106–126
799
Molecular dynamics study of the influence of functionalization on the elastic properties of single and multiwall carbon nanotubes
800
Molecular dynamics study of the influence of mobile cations on the reconstruction of an irradiated silicate glass
801
Molecular dynamics study of the influence of the polarizability in PEOx–NaI polymer electrolyte systems
802
Molecular dynamics study of the interactions between dislocation and imperfect stacking fault tetrahedron in Cu
803
Molecular dynamics study of the interfacial mechanical properties of the graphene–collagen biological nanocomposite
804
Molecular dynamics study of the ionic conductivity of 1-n-butyl-3-methylimidazolium salts as ionic liquids
805
Molecular Dynamics Study of the Lennard-Jones Fluid Viscosity: Application to Real Fluids
806
Molecular dynamics study of the mechanical behavior of nickel nanowire: Strain rate effects
807
Molecular dynamics study of the mechanics for Ni single-wall nanowires
808
Molecular dynamics study of the mechanics of metal nanowires at finite temperature
809
Molecular dynamics study of the micro-spallation of single crystal tin
810
Molecular dynamics study of the ordered Cu3Au: I. Vibrational and structural properties of the low indexed surfaces
811
Molecular dynamics study of the ordered Cu3Au: II. Vibrational and structural properties of Cu and Au adatoms on the low indexed surfaces
812
Molecular dynamics study of the ordered Cu3Au: II. Vibrational and structural properties of Cu and Au adatoms on the low indexed surfaces
813
Molecular dynamics study of the polymer clay nanocomposites (PCNs): Elastic constants and basal spacing predictions
814
Molecular dynamics study of the positioned single-walled carbon nanotubes with T-, X-, Y- junction during nanoscale soldering
815
Molecular dynamics study of the role of ion bombardment in cubic boron nitride thin film deposition
816
Molecular dynamics study of the role of material properties on nanoparticles formed by rapid expansion of a heated target
817
Molecular dynamics study of the stress–strain behavior of carbon-nanotube reinforced Epon 862 composites
818
Molecular dynamics study of the structural basis of dysfunction and the modulation of reactive oxygen species generation by pathogenic mutants of human dihydrolipoamide dehydrogenase
819
Molecular dynamics study of the structure and dynamic behavior at the surface of a silicate glass
820
Molecular dynamics study of the structure and dynamics of Zn2+ ion in water
821
Molecular dynamics study of the structure of an oppositely charged polyelectrolyte and an ionic surfactant at the air/water interface
822
Molecular dynamics study of the tautomeric equilibrium in the Mannich base
823
Molecular dynamics study of the temperature dependence and surface orientation dependence of the calculated vacancy formation energies of Al, Ni, Cu, Pd, Ag, and Pt
824
Molecular dynamics study of the thermal behaviour of silica glass/melt and cristobalite
825
Molecular dynamics study of the thermal conductivity of amorphous nanoporous silica
826
Molecular dynamics study of the transport and structural properties of the Cu3Au and Ni3Al(1 1 0) surface
827
Molecular dynamics study of the α–β transition in quartz: elastic properties, finite size effects, and hysteresis in the local structure
828
Molecular dynamics study of the α–γ phase transition in Fe induced by shear deformation Original Research Article
829
Molecular dynamics study of thermal properties of noble metals
830
Molecular dynamics study of thin film instability and nanostructure formation
831
Molecular dynamics study of ultrathin argon layer covering fullerene molecule
832
Molecular dynamics study of ultrathin lubricant films with functional end groups: Thermal-induced desorption and decomposition
833
Molecular dynamics study of UV-laser-induced densification of fused silica. II. Effects of laser pulse duration, pressure, and temperature, and comparison with pressure-induced densification
834
Molecular dynamics study of vapor–liquid equilibria and transport properties of sodium and lithium based on EAM potentials
835
Molecular dynamics study of velocity distribution and local temperature change during rapid cooling processes in excimer-laser annealed silicon
836
Molecular dynamics study of void effect on nanoimprint of single crystal aluminum
837
Molecular dynamics study of water adopting a potential function with explicit atomic dipole moments and anisotropic polarizabilities Original Research Article
838
Molecular dynamics study of water diffusivity at low concentrations in non-swollen and swollen polyurethanes
839
Molecular dynamics study of water pores in a phospholipid bilayer
840
Molecular dynamics study of wearless friction in sub-micrometer size mechanisms and actuators based on an atomistic simplified model
841
Molecular dynamics study of Xe bubble re-solution in UO2
842
Molecular dynamics study of xenon on an amorphous Al2O3 surface
843
Molecular dynamics study of xenon on an amorphous Al2O3 surface
844
Molecular dynamics study on binding free energy of Azurin–Cytochrome c551 complex
845
Molecular dynamics study on buckling of single-wall carbon nanotube-based intramolecular junctions and influence factors
846
Molecular dynamics study on formation and crystallization of Ti–Al amorphous alloys
847
Molecular dynamics study on formation and crystallization of Ti–Al amorphous alloys
848
Molecular dynamics study on freezing of Lennard-Jones argon in an open-ended cylindrical pore
849
Molecular dynamics study on homonuclear and heteronuclear chains of Lennard–Jones segments
850
Molecular dynamics study on hydrocarbon interaction with plasma facing walls
851
Molecular dynamics study on iron oxide nanoparticles stabilised with Sebacic Acid and 1,10-Decanediol surfactants
852
Molecular dynamics study on mechanics of metal nanowire
853
Molecular dynamics study on mobility and dipole ordering of solvent around proteins: effects of periodic-box size and protein charge
854
Molecular dynamics study on nanotube-resonators with mass migration applicable to both frequency-tuner and data-storage-media
855
Molecular dynamics study on oscillation dynamics of a C60 fullerene encapsulated in a vibrating carbon-nanotube-resonator
856
Molecular dynamics study on oxygen diffusion in yttria-stabilized zirconia subjected to uniaxial stress in terms of yttria concentration and stress direction
857
Molecular dynamics study on resonance frequency shifts due to linear density of nanoclusters encapsulated in carbon nanotubes
858
Molecular dynamics study on surface structure and surface energy of rutile TiO2 (1 1 0)
859
Molecular dynamics study on surface structure of a-SiO2 by charge equilibration method
860
Molecular dynamics study on the bending rigidity of graphene nanoribbons
861
Molecular dynamics study on the effect of interaction potentials on the pressures of high density helium
862
Molecular dynamics study on the effect of molecular orientation on polymer welding
863
Molecular dynamics study on the effects of stamp shape, adhesive energy, and temperature on the nanoimprint lithography process
864
Molecular dynamics study on the equal biaxial tension of Cu/Ag bilayer films
865
Molecular dynamics study on the field effect ion transport in carbon nanotube
866
Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in fcc metals Original Research Article
867
Molecular dynamics study on the free energy profile for dissociation of ADP from N-terminal domain of Hsp90
868
Molecular dynamics study on the liquid–vapor interfacial profiles
869
Molecular dynamics study on the mode I fracture of calcium silicate hydrate under tensile loading
870
Molecular dynamics study on the nano-void growth in face-centered cubic single crystal copper
871
Molecular dynamics study on the nature of ferroelasticity and piezoconductivity of lanthanum cobaltite
872
Molecular dynamics study on the stability of amorphous Ar inside a nanopore
873
Molecular dynamics study on the stability of g-Al O surfaces
874
Molecular dynamics study on the structure I clathrate-hydrate of methane + ethane mixture
875
Molecular dynamics study on the thermal conductivity and mechanical properties of boron doped graphene
876
Molecular dynamics study on thermo-mechanical properties of bismuth telluride bulk
877
Molecular dynamics study on vibrational properties of graphene nanoribbon resonator under tensile loading
878
Molecular dynamics study to improve the substrate adsorption of Saccharomycopsis fibuligera R64 alpha-amylase by designing a new surface binding site
879
Molecular dynamics under the confinement by the host lattice in zeolitic adsorbate–adsorbent systems
880
Molecular Dynamics virtual testing of thermally aged Fe–Cu microstructures obtained from multiscale simulations
881
Molecular dynamics with the massively parallel APE computers Original Research Article
882
Molecular Dynamics, Biological Study and Extractive Spectrophotometric Determination of Vanadium (V) - 2-methyl-8-quinolinol Complex
883
Molecular dynamics, database screening, density functional and docking studies of novel RAR ligands in cancer chemotherapy Original Research Article
884
Molecular dynamics, diffraction and EXAFS of rare earth phosphate glasses compared with predictions based on bond valence
885
Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble
886
Molecular Dynamics: The Computational Molecular Microscope
887
Molecular dynamics-like data clustering approach
888
Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex
889
Molecular Dynamism of Fe–S Cluster Biosynthesis Implicated by the Structure of the SufC2–SufD2 Complex
890
Molecular ecology and polyphasic characterization of the microbiota associated with semi-dry processed coffee (Coffea arabica L.) Original Research Article
891
Molecular effect of Silver nanoparticles on wound healing activity of Salvia officinalis extract in adult mice
892
Molecular Effects of Atmospheric Pressure Plasma Jet on the Double-Stranded DNA
893
Molecular effects of curcumin on the experimental autoimmune encephalomyelitis
894
Molecular Effects of Familial Hypertrophic Cardiomyopathy-Related Mutations in the TNT1 Domain of cTnT
895
Molecular effects of HMG-CoA reductase inhibitors on smooth muscle cell proliferation
896
Molecular effects of HMG-CoA reductase inhibitors on smooth muscle cell proliferation: Reply
897
Molecular Effects of Homocysteine on cbEGF Domain Structure: Insights into the Pathogenesis of Homocystinuria Original Research Article
898
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures
899
Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory
900
Molecular electric properties: an assessment of recently developed functionals
901
Molecular electric quadrupole moments calculated with matrix dressed SDCI
902
Molecular electron affinities and the calculation of the temperature dependence of the electron-capture detector response
903
Molecular Electronic Junctions
904
Molecular electronic properties and vibrational characteristics of PCCN…HX/DX (X = F, Cl, Br) inter-molecular complexes
905
Molecular electronic properties of fused rigid porphyrin-oligomer molecular wires
906
MOLECULAR ELECTRONIC SPECTRAL BROADENING IN LIQUIDS AND GLASSES
907
Molecular electronic structure calculations employing a plane wave basis: A comparison with Gaussian basis calculations
908
Molecular electronic tuning of Si surfaces
909
Molecular electronics by the numbers
910
Molecular electronics by the numbers
911
Molecular electronics: from devices and interconnect to circuits and architecture
912
Molecular electrophosphorescence in (Sm, Gd)-β-diketonate complex blend for OLED applications
913
Molecular electrostatic potentials and Mulliken charge populations of DNA mini-sequences Original Research Article
914
Molecular electrostatic potentials in Cucurbit[n]uril (n = 13–16) hosts
915
Molecular elucidation of morphology and mechanical properties of PVDF hollow fiber membranes from aspects of phase inversion, crystallization and rheology
916
MOLECULAR EM FIELDS AND DYNAMICAL RESPONSES IN SOLIDS WITH MAGNETIC CHARGES
917
Molecular encapsulation of ascorbyl palmitate in preformed V-type starch and amylose
918
Molecular encapsulation of rifampicin as an inclusion complex of hydroxypropyl-β-cyclodextrin: Design; characterization and in vitro dissolution
919
Molecular encounters at microtubule ends in the plant cell cortex
920
Molecular endotypes of pediatric asthma: a novel language directs asthma treatment!
921
Molecular engineered porous clays using surfactants
922
Molecular engineered silica surfaces with an assembled anthracene monolayer as a fluorescent sensor for organic copper(II) salts
923
Molecular engineering and design of therapeutic antibodies
924
Molecular engineering and properties of chitin based shape memory polyurethanes
925
Molecular engineering and properties of chitin based shape memory polyurethanes
926
Molecular engineering for panchromatic absorbing oligothiophene donor–π–acceptor organic semiconductors
927
Molecular engineering leading to better processability of conjugated chromophores: The optical properties of new soluble copolymers containing alternative oligo-octylthiophene and oligo-methylene blocks
928
Molecular engineering of avidin and hydrophobin for functional self-assembling interfaces
929
Molecular engineering of chitin based polyurethane elastomers
930
Molecular engineering of chitin based polyurethane elastomers
931
Molecular engineering of Diketopyrrolopyrrole-based photosensitizer for solution processed small molecule bulk heterojunction solar cells
932
Molecular engineering of donor–acceptor co-polymers for bulk heterojunction solar cells
933
Molecular engineering of glycosaminoglycan chemistry for biomolecule delivery
934
Molecular engineering of hybrid π-conjugated oligomers combining 3,4-ethylenedioxythiophene (EDOT) and thiophene-S,S-dioxide units
935
Molecular engineering of manipulated alginate-based polyurethanes
936
Molecular engineering of materials for bioreactivity
937
Molecular Engineering of Microsomal P450 2a-4 to a Stable, Water-Soluble Enzyme
938
Molecular engineering of NLO-phores for new NLO microscopies
939
Molecular engineering of octupolar tris(bipyridyl) metal complexes
940
Molecular engineering of organic conductor / high-Tc superconductor assemblies
941
Molecular engineering of organic dyes containing N-aryl carbazole moiety for solar cell
942
Molecular engineering of organic reagents and catalysts using soluble polymers
943
Molecular engineering of organic sensitizers containing indole moiety for dye-sensitized solar cells
944
Molecular Engineering of Peptides Review Article
945
Molecular engineering of PIM-1/Matrimid blend membranes for gas separation
946
Molecular engineering of PQQGDH and its applications
947
Molecular engineering of Rhizopus oryzae lipase using a combinatorial protein library constructed on the yeast cell surface
948
Molecular engineering of side-chain liquid crystalline polymers by living polymerizations
949
Molecular Engineering of the Geobacillus stearothermophilus α-Amylase and Cel5E from Chlostridium thermocellim; In Silico Approach
950
Molecular engineering of thia-bridged triphenylamine heterohelicenes as novel organic dyes for dye-sensitized solar cells
951
Molecular engineering on semiconductor surfaces: design, synthesis and application of new efficient amphiphilic ruthenium photosensitizers for nanocrystalline TiO2 solar cells
952
Molecular engineering. Part 9: Enhanced binding ability and selectivity of C2v cavitands
953
Molecular entity vacancy model
954
Molecular Entrapment of Small Molecules within the Interior of Horse Spleen Ferritin
955
Molecular environment effects on polymerization rates in diepoxide–binary amines compositions by dielectric studies Original Research Article
956
Molecular environment of Ni after its use for removal of CMP nanoparticle
957
Molecular environment of Ni after its use for removal of CMP nanoparticle
958
MOLECULAR ENVIRONMENTAL GEOCHEMISTRY
959
Molecular enzymology of lipoxygenases
960
Molecular enzymology of the Eco RV DNA-(adenine-N6)-methyltransferase: kinetics of DNA binding and bending, kinetic mechanism and linear diffusion of the enzyme on DNA
961
Molecular Epidemiologic Study of Male Trichomoniasis in Hamadan, Western Iran
962
Molecular epidemiological analysis of highly pathogenic avian influenza H5N1 subtype isolated from poultry and wild bird in Thailand
963
Molecular epidemiological study of Arctic rabies virus isolates from Greenland and comparison with isolates from throughout the Arctic and Baltic regions
964
Molecular epidemiological study of cutaneous leishmaniasis in the focus of bushehr city, southwestern iran.
965
Molecular Epidemiological Survey of Cutaneous Leishmaniasis in Two Highly Endemic Metropolises of Iran, Application of FTA Cards for DNA Extraction From Giemsa-Stained Slides
966
Molecular epidemiology analysis of Salmonella enterica serotype Typhi used Pulsed-Field Gel Electrophoresis (PFGE)
967
Molecular Epidemiology Analysis of TB in Five Regional States of Iran
968
Molecular Epidemiology and
In Vitro
Antifungal Susceptibility of
Candida
Isolates from Women with Vulvovaginal Candidiasis in Northern Cities of Khuzestan Province, Iran
969
Molecular Epidemiology and Antibacterial Susceptibility of Streptococci Isolated from Healthy Children Attending Day Care Units
970
Molecular Epidemiology and Antimicrobial Resistance of Salmonella spp. Isolated from Resident Patients in Mazandaran Province, Northern Iran
971
Molecular Epidemiology and Associated Risk Factors of Parasites in Oral Cavity of Children with Malignancies in Western Iran
972
Molecular epidemiology and clinical features of Hepatitis C Virus (HCV) in epidemic areas of Interior Sindh, Pakistan
973
Molecular epidemiology and disinfectant susceptibility of Listeria monocytogenes from meat processing plants and human infections
974
Molecular Epidemiology and Drug Resistance Study of Entamoeba histolytica in Clinical Isolates from Tehran, Iran
975
Molecular epidemiology and genotyping of TT virus isolated from Saudi blood donors and hepatitis patients.
976
Molecular epidemiology and phylogenetic analysis of bovine picobirnaviruses causing calf diarrhea, in Iran
977
Molecular epidemiology and phylogenetic analysis of Dengue virus type-1 and 2 isolated in Malaysia
978
Molecular epidemiology and phylogenetic analysis of human T-lymphotropic virus type 1 in the tax gene and it association with adult t-cell leukemia/lymphoma disorders
979
Molecular Epidemiology and Phylogeny of Crimean-Congo Haemorrhagic Fever (CCHF) Virus of Ixodid Ticks in Khorasan Razavi Province of Iran
980
Molecular epidemiology and phylogeography of Schistosoma mansoni around Lake Victoria
981
Molecular Epidemiology and Sequencing of Avian Pathogenic Escherichia coli APEC in Egypt
982
Molecular Epidemiology and Surveillance Program in Iran: Present Status and Future Prospect
983
Molecular epidemiology and type-specific detection of echovirus 11 isolates from the Americas, Europe, Africa, Australia, southern Asia and the Middle East
984
Molecular Epidemiology Based on SPA Genotyping of Staphylococcus aureus Isolated from Cattle and Camels in Egypt
985
Molecular epidemiology in the 1990s and the interface between epidemiology and behavioral science
986
Molecular epidemiology of a large outbreak of hepatitis B linked to autohaemotherapy
987
Molecular Epidemiology of Adenoviral Conjunctiviti in Hanoi, Vietnam
988
Molecular epidemiology of African sleeping sickness
989
Molecular Epidemiology of Aminoglycosides Resistance in Acinetobacter Spp. with Emergence of Multidrug-Resistant Strains
990
Molecular Epidemiology of AmpC-Producing Klebsiella Pneumoniae Isolated from Perioperative Patients in a Tertiary Hospital
991
Molecular epidemiology of an outbreak of infection with hepatitis C virus in recipients of anti-D immunoglobulin
992
Molecular epidemiology of antibiotic-resistant Escherichia coli among clinical samples isolated in Azerbaijan, Iran
993
Molecular epidemiology of antimicrobial resistant microorganisms in the 21th century: a review of the literature
994
Molecular epidemiology of astrovirus type 1 in Belém, Brazil, as an agent of infantile gastroenteritis, over a period of 18 years (1982–2000): Identification of two possible new lineages
995
Molecular Epidemiology of blaCMY-1, blaCMY-2, blaFOX Genes in K. pneumoniae From Elderly Patients in Tehran, Iran
996
Molecular epidemiology of bladder cancer: Known chemical causes of bladder cancer: Occupation and smoking
997
Molecular Epidemiology of Blastocystis spp. Isolates in Bandar Abbas, South of Iran
998
Molecular epidemiology of Bluetongue virus in northern Colorado
999
Molecular epidemiology of bluetongue virus serotype 4 isolated in the Mediterranean Basin between 1979 and 2004
1000
Molecular epidemiology of bovine papillomatosis and the identification of a putative new virus type in Brazilian cattle
