Title :
Solvation water of biomolecules seen through THz glasses
Author :
Heyden, Matthias ; Born, Benjamin ; Havenith, Martina
Author_Institution :
Phys. Chem. 2, Ruhr-Univ. Bochum, Bochum, Germany
Abstract :
The THz absorption of the intermolecular vibrational modes of the hydrogen bond network of water has recently been found to define a dynamical solvation shell around solutes that extends beyond the first hydration layer. Here, we study the vibrations and dynamical processes in the hydrogen bond network of water using molecular dynamics (MD) simulations to understand its properties.
Keywords :
hydrogen bonds; molecular biophysics; molecular dynamics method; solvation; terahertz wave spectra; vibrational states; water; H2O; dynamical solvation shell; hydration layer; hydrogen bond network dynamical processes; hydrogen bond network vibrations; intermolecular vibrational modes; molecular dynamics simulations; terahertz absorption; water biomolecule solvation; water hydrogen bond network; Absorption; Correlation; Oscillators; Proteins; System-on-a-chip; Vibrations; Water;
Conference_Titel :
Infrared Millimeter and Terahertz Waves (IRMMW-THz), 2010 35th International Conference on
Conference_Location :
Rome
Print_ISBN :
978-1-4244-6655-9
DOI :
10.1109/ICIMW.2010.5612303