Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations

Title
Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations
Authors
Keywords
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Journal
Journal of Chemical Information and Modeling
Volume 60, Issue 12, Pages 6642-6653
Publisher
American Chemical Society (ACS)
Online
2020-12-03
DOI
10.1021/acs.jcim.0c01091

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