Ontology highlight
ABSTRACT:
SUBMITTER: Okazaki K
PROVIDER: S-EPMC1567665 | biostudies-literature | 2006 Aug
REPOSITORIES: biostudies-literature
Okazaki Kei-ichi K Koga Nobuyasu N Takada Shoji S Onuchic Jose N JN Wolynes Peter G PG
Proceedings of the National Academy of Sciences of the United States of America 20060728 32
Biomolecules often undergo large-amplitude motions when they bind or release other molecules. Unlike macroscopic machines, these biomolecular machines can partially disassemble (unfold) and then reassemble (fold) during such transitions. Here we put forward a minimal structure-based model, the "multiple-basin model," that can directly be used for molecular dynamics simulation of even very large biomolecular systems so long as the endpoints of the conformational change are known. We investigate t ...[more]