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Water in the Active Site of Ketosteroid Isomerase

Classical molecular dynamics simulations were utilized to investigate the structural and dynamical properties of water in the active site of ketosteroid isomerase (KSI) to provide insight into the role of these water molecules in the enzyme-catalyzed reaction. This reaction is thought to proceed via...

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Detalhes bibliográficos
Main Authors: Hanoian, Philip, Hammes-Schiffer, Sharon
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3149774/
https://ncbi.nlm.nih.gov/pubmed/21710970
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi200703y
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