Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease

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Authors: Shunzhou Wan, Agastya P. Bhati, Alexander D. Wade, Dario Alfè, Peter V. Coveney

Journal title: Molecular Systems Design & Engineering

Journal number: 7

Journal publisher: The Royal Society of Chemistry

Published year: 2024

Published pages: 123-131

DOI identifier: 10.1039/d1me00124h

ISSN: 2058-9689