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Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal |
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| Authors: | Proia Eleonora Ragno Alessio Antonini Lorenzo Sabatino Manuela Mladenovič Milan Capobianco Roberto Ragno Rino |
| Affiliation: | 1. Department of Drug Chemistry and Technology, Rome Center for Molecular Design, Sapienza University of Rome, P.le Aldo Moro 5, 00185, Rome, Italy ;2.Department of Computer, Control and Management Engineering “Antonio Ruberti”, Sapienza University of Rome, Rome, Italy ;3.Department of Chemistry, Faculty of Science, Kragujevac Center for Computational Biochemistry, University of Kragujevac, Radoja Domanovi?a 12, P.O. Box 60, 34000, Kragujevac, Serbia ;4.Sony AI, Rome, Italy ; |
| Abstract: | Journal of Computer-Aided Molecular Design - The main protease (Mpro) of SARS-Cov-2 is the essential enzyme for maturation of functional proteins implicated in viral replication and transcription.... |
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