Ontology highlight
ABSTRACT:
SUBMITTER: Park H
PROVIDER: S-EPMC4456269 | biostudies-literature | 2015 Jun
REPOSITORIES: biostudies-literature
Structure (London, England : 1993) 20150507 6
Recent studies have shown that explicit solvent molecular dynamics (MD) simulation followed by structural averaging can consistently improve protein structure models. We find that improvement upon averaging is not limited to explicit water MD simulation, as consistent improvements are also observed for more efficient implicit solvent MD or Monte Carlo minimization simulations. To determine the origin of these improvements, we examine the changes in model accuracy brought about by averaging at th ...[more]