Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain
Eleni Pitsillou, Julia Liang, Raymond C. Beh, Andrew Hung, Tom C. Karagiannis
Topics & Concepts
Molecular dynamicsChemistryEctodomainHydrogen bondIntermolecular forceCrystallographyBiophysicsBiologyBiochemistryMoleculeReceptorComputational chemistryOrganic chemistrySARS-CoV-2 and COVID-19 ResearchProtein Structure and DynamicsRNA and protein synthesis mechanisms