Optimization and evaluation of a coarse-grained model of protein motion using x-ray crystal data.

ABSTRACT: Simple coarse-grained models, such as the Gaussian network model, have been shown to capture some of the features of equilibrium protein dynamics. We extend this model by using atomic contacts to define residue interactions and introducing more than one interaction parameter between residues. We use B-factors from 98 ultra-high resolution (

SUBMITTER: Kondrashov DA 

PROVIDER: S-EPMC1578481 | biostudies-literature | 2006 Oct

REPOSITORIES: biostudies-literature