Ontology highlight
ABSTRACT:
SUBMITTER: Harada R
PROVIDER: S-EPMC3305823 | biostudies-literature | 2012 Mar
REPOSITORIES: biostudies-literature
Harada Ryuhei R Sugita Yuji Y Feig Michael M
Journal of the American Chemical Society 20120302 10
The effect of protein crowding on the structure and dynamics of water was examined from explicit solvent molecular dynamics simulations of a series of protein G and protein G/villin systems at different protein concentrations. Hydration structure was analyzed in terms of radial distribution functions, three-dimensional hydration sites, and preservation of tetrahedral coordination. Analysis of hydration dynamics focused on self-diffusion rates and dielectric constants as a function of crowding. T ...[more]