Ontology highlight
ABSTRACT:
SUBMITTER: Sherwood P
PROVIDER: S-EPMC6407689 | biostudies-literature | 2008 Oct
REPOSITORIES: biostudies-literature
Current opinion in structural biology 20080917 5
In this article we review the key modeling tools available for simulating biomolecular systems. We consider recent developments and representative applications of mixed quantum mechanics/molecular mechanics (QM/MM), elastic network models (ENMs), coarse-grained molecular dynamics, and grid-based tools for calculating interactions between essentially rigid protein assemblies. We consider how the different length scales can be coupled, both in a sequential fashion (e.g. a coarse-grained or grid mo ...[more]