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Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site

A reaction’s transition state (TS) structure plays a critical role in determining reactivity and has important implications for the design of catalysts, drugs, and other applications. Here we explore TS structure in the enzyme alkaline phosphatase using hybrid Quantum Mechanics/Molecular Mechanics s...

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Detalhes bibliográficos
Publicado no:J Am Chem Soc
Main Authors: Roston, Daniel, Demapan, Darren, Cui, Qiang
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5705186/
https://ncbi.nlm.nih.gov/pubmed/27186960
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.6b03156
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