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
Autor: | Tumskiy, Roman S., Tumskaia, Anastasiia V., Klochkova, Iraida N., Richardson, Rudy J. |
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Zdroj: | In Computers in Biology and Medicine February 2023 153 |
Databáze: | ScienceDirect |
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