SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations.
Roman S. TumskiyAnastasiia V. TumskaiaIraida KolcunováRudy J. RichardsonPublished in: Comput. Biol. Medicine (2023)