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

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...

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Detalhes bibliográficos
Main Authors: Wong, Kim F., Selzer, Tzvia, Benkovic, Stephen J., Hammes-Schiffer, Sharon
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1100751/
https://ncbi.nlm.nih.gov/pubmed/15811945
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408343102
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