Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease
Marina Macchiagodena, Marco Pagliai, Piero Procacci
Topics & Concepts
ChemistryCovalent bondProtonationMolecular dynamicsStereochemistryCysteine proteaseProteaseCombinatorial chemistryComputational chemistryBiochemistryEnzymeOrganic chemistryIonComputational Drug Discovery MethodsProtein Structure and DynamicsSARS-CoV-2 and COVID-19 Research