Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease

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Authors: H. T. Henry Chan; A. Sofia F. Oliveira; Christopher J. Schofield; Adrian J. Mulholland; Fernanda Duarte

Journal title: JACS Au

Journal number: 3

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 1767–1774

DOI identifier: 10.1021/jacsau.3c00185

ISSN: 2691-3704