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Computational Modeling of the SARS-CoV-2 Main Protease Inhibition by the Covalent Binding of Prospective Drug Molecules.
Alexander V. Nemukhin
Bella L. Grigorenko
Igor V. Polyakov
Sofya V. Lushchekina
Published in:
Supercomput. Front. Innov. (2020)
Keyphrases
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computational modeling
computational models
drug design
computational model
industrial applications
hiv protease
chemical compounds
cognitive science
drug resistance
neural network
systems engineering
pharmaceutical industry
information systems
association rules
drug discovery