Computational remodeling of an enzyme conformational landscape for altered substrate selectivity

Abstract Structural plasticity of enzymes dictates their function. Yet, our ability to rationally remodel enzyme conformational landscapes to tailor catalytic properties remains limited. Here, we report a computational procedure for tuning conformational landscapes that is based on multistate design...

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Bibliographic Details
Main Authors: Antony D. St-Jacques, Joshua M. Rodriguez, Matthew G. Eason, Scott M. Foster, Safwat T. Khan, Adam M. Damry, Natalie K. Goto, Michael C. Thompson, Roberto A. Chica
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-41762-0