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Andrianov, A.M
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AI-Driven De Novo Design and Molecular Modeling for Discovery of Small-Molecule Compounds as Potential Drug Candidates Targeting SARS-CoV-2 Main Protease
by
Andrianov
,
A.M
,
Furs, K.V
,
Shuldau, M.A
,
Tuzikov, A.V
,
Yushkevich, A.M
Published 2023
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Related Subjects
SARS-CoV-2
anti-SARS-CoV-2 drugs
binding free energy calculations
deep learning
generative autoencoder
main protease
molecular docking
molecular dynamics
virtual screening
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