Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations
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Inhibiting the biological activity of SARS-CoV-2 Mpro can prevent viral replication. In this context, a hybrid approach using knowledge- and physics-based methods was proposed to characterize potential inhibitors for SARS-CoV-2 Mpro. Initially, supervised mach... ...
