Multistep rational molecular design and combined docking for discovery of novel classes of inhibitors of SARS-CoV-2 main protease 3CLpro

por Tumskiy, Roman S., Tumskaia, Anastasiia V.
Publicado 2021

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...

por Tumskiy, Roman S., Tumskaia, Anastasiia V., Klochkova, Iraida N., Richardson, Rudy J.
Publicado 2023