Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography
Daniel W. Kneller, G.N. Phillips, Kevin L. Weiss, Qiu Zhang, Leighton Coates, Andrey Kovalevsky
Abstract
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Topics & Concepts
ChemistryProtonationStereochemistryProteaseRational designDrug discoveryLigand (biochemistry)PeptidomimeticActive siteEnzyme inhibitorEnzymeBiochemistryNanotechnologyReceptorOrganic chemistryIonPeptideMaterials scienceComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchInfectious Encephalopathies and Encephalitis