BiochemistrybioRxiv
An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease
J. Clayton, V. M. de Oliveira, M. F. Ibrahim…·J. Shen
This study investigates how the H172Y mutation in SARS-CoV-2 Mpro reduces nirmatrelvir efficacy using simulations, AI, and experiments, revealing structural and functional changes in the enzyme.
DOI 10.1021/acs.jcim.3c00344