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Simulations of Remote Mutants of Dihydrofolate Reductase Reveal the Nature of a Network of Residues Coupled to Hydride Transfer

Recent experimental and theoretical studies have proposed that enzymes involve networks of coupled residues throughout the protein that participate in motions accompanying chemical barrier crossing. Here we have examined portions of a proposed network in dihydrofolate reductase (DHFR) using quantum...

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Detalhes bibliográficos
Main Authors: Roston, Daniel, Kohen, Amnon, Doron, Dvir, Major, Dan T.
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4082691/
https://ncbi.nlm.nih.gov/pubmed/24798860
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23629
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