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Discovery of a regioselectivity switch in nitrating P450s guided by MD simulations and Markov models

The dynamic motions of protein structural elements, particularly flexible loops, are intimately linked with diverse aspects of enzyme catalysis. Engineering of these loop regions can alter protein stability, substrate binding, and even dramatically impact enzyme function. When these flexible regions...

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Detalhes bibliográficos
Publicado no:Nat Chem
Main Authors: Dodani, Sheel C., Kiss, Gert, Cahn, Jackson K. B., Su, Ye, Pande, Vijay S., Arnold, Frances H.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4843824/
https://ncbi.nlm.nih.gov/pubmed/27102675
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nchem.2474
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