Title :
Numerical modeling of biomolecular electrostatic properties by the Element-Free Galerkin Method
Author :
Manzin, A. ; Ansalone, D.P. ; Bottauscio, O.
Author_Institution :
Ist. Naz. di Ricerca Metrologica (INRIM), Torino, Italy
Abstract :
The Element-Free Galerkin Method is applied to the study of the electrostatic behavior of a biomolecule inside a ionic solvent. The aim is the solution of the linearized Poisson-Boltzmann equation. The numerical results put in evidence the capability of the approach in approximating the steep gradients of the electrostatic potential arising in the molecular region.
Keywords :
Boltzmann equation; Galerkin method; Poisson equation; bioelectric potentials; biomembrane transport; electrostatics; molecular biophysics; potassium; proteins; Gramicidin A; biomolecule; electrostatic potential; element-free Galerkin method; ionic solvent; linearized Poisson-Boltzmann equation; numerical modeling; steep gradients; transmembrane channel; Electrostatics; Finite element methods; Geometry; Molecular biophysics; Moment methods; Nonlinear equations; Numerical models; Poisson equations; Proteins; Solvents;
Conference_Titel :
Electromagnetic Field Computation (CEFC), 2010 14th Biennial IEEE Conference on
Conference_Location :
Chicago, IL
Print_ISBN :
978-1-4244-7059-4
DOI :
10.1109/CEFC.2010.5481683
