Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease
Andrey Kovalevsky, Annie Aniana, Leighton Coates, Rodolfo Ghirlando, Nashaat T. Nashed, John M. Louis
Topics & Concepts
OxyanionProteaseOxyanion holeLoop (graph theory)Transient (computer programming)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ChemistryActive siteIndinavirCoronavirusBinding siteBiophysicsStereochemistryCoronavirus disease 2019 (COVID-19)VirologyCrystallographyBiologyBiochemistryEnzymeHuman immunodeficiency virus (HIV)Computer scienceMathematicsCombinatoricsInfectious disease (medical specialty)Viral diseaseSidaMedicineCatalysisDiseaseOperating systemPathologyComputational Drug Discovery MethodsProtein Structure and DynamicsEnzyme Structure and Function