Fast and Effective Prediction of the Absolute Binding Free Energies of Covalent Inhibitors of SARS-CoV-2 Main Protease and 20S Proteasome.
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DOI: 10.1021/jacs.2c00853
Abstract: The COVID-19 pandemic has been a public health emergency with continuously evolving deadly variants around the globe. Among many preventive and therapeutic strategies, the design of covalent inhibitors targeting the main protease (Mpro) of SARS-CoV-2… read more here.
Keywords: prediction absolute; effective prediction; covalent inhibitors; main protease ... See more keywords