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Regulation and Plasticity of Catalysis in Enzymes: Insights from Analysis of Mechanochemical Coupling in Myosin

The mechanism of ATP hydrolysis in the myosin motor domain is analyzed using a combination of DFTB3/CHARMM simulations and enhanced sampling techniques. The motor domain is modeled in the pre-powerstroke state, in the post-rigor state, and a hybrid model based on the post-rigor state with a closed n...

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Detalhes bibliográficos
Publicado no:Biochemistry
Main Authors: Lu, Xiya, Ovchinnikov, Victor, Demapan, Darren, Roston, Daniel, Cui, Qiang
Formato: Artigo
Idioma:Inglês
Publicado em: 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5705175/
https://ncbi.nlm.nih.gov/pubmed/28225609
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.biochem.7b00016
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