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Article

Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase.

Proceedings of the National Academy of Sciences of the United States of America - 10 May 2005

Wong Kim F, Selzer Tzvia, Benkovic Stephen J, Hammes-Schiffer Sharon

Abstract excerpt

A comprehensive analysis of the network of coupled motions correlated to hydride transfer in dihydrofolate reductase is presented. Hybrid quantum/classical molecular dynamics simulations are combined with a rank correlation analysis method to extract thermally averaged properties that vary along the collective reaction coordinate according to a prescribed target model. Coupled motions correlated to hydride...

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Identifiers

PMID: 15811945
DOI: 10.1073/pnas.0408343102
PMCID: PMC1100751

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Source receipt: pubmed, retrieved 7 Sept 2026.

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