Ontology highlight
ABSTRACT:
SUBMITTER: Emperador A
PROVIDER: S-EPMC2517050 | biostudies-other | 2008 Sep
REPOSITORIES: biostudies-other
Biophysical journal 20080516 5
A systematic study of two coarse-grained techniques for the description of protein dynamics is presented. The two techniques exploit either Brownian or discrete molecular dynamics algorithms applied in the context of simple C(alpha)-C(alpha) potentials, like those used in coarse-grained normal mode analysis. Coarse-grained simulations of the flexibility of protein metafolds are compared to those computed with fully atomistic molecular dynamics simulations using state-of-the-art physical potentia ...[more]