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ABSTRACT:
SUBMITTER: Korkut A
PROVIDER: S-EPMC2734882 | biostudies-literature | 2009 Sep
REPOSITORIES: biostudies-literature
Korkut Anil A Hendrickson Wayne A WA
Proceedings of the National Academy of Sciences of the United States of America 20090828 37
Activities of many biological macromolecules involve large conformational transitions for which crystallography can specify atomic details of alternative end states, but the course of transitions is often beyond the reach of computations based on full-atomic potential functions. We have developed a coarse-grained force field for molecular mechanics calculations based on the virtual interactions of C alpha atoms in protein molecules. This force field is parameterized based on the statistical dist ...[more]