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Determining the Conformational Change that Accompanies Donor-Acceptor Distance Fluctuations: An Umbrella Sampling Analysis

The response of a protein to variation in a specific coordinate can provide insights into the role of the overall architecture in the structural change. Given that the calculated potential of mean force governing the fluctuation of an electron transfer donor-acceptor distance in the NADH:Flavin oxid...

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Detalhes bibliográficos
Principais autores: Luo, Guobin, Karplus, Martin
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3131181/
https://ncbi.nlm.nih.gov/pubmed/21619043
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp201998c
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