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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Bibliographic Details
Main Authors: Dodani, Sheel C., Kiss, Gert, Cahn, Jackson K. B., Su, Ye, Pande, Vijay S., Arnold, Frances H.
Format: Online
Language:English
Published: 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4843824/