E484K mutation in SARS-CoV-2 RBD enhances binding affinity with hACE2 but reduces interactions with neutralizing antibodies and nanobodies: Binding free energy calculation studies
Wei Bu Wang, Yu Liang, Yu Jin, Jing Zhang, Ji Guo Su, Qi Ming Li
Topics & Concepts
MutationMutantReceptorBinding siteAffinity maturationHydrogen bondMolecular dynamicsAntibodyBiophysicsNeutralizationBiologyChemistryVirologyBiochemistryGeneticsMoleculeGeneComputational chemistryOrganic chemistrySARS-CoV-2 and COVID-19 ResearchMonoclonal and Polyclonal Antibodies Researchthermodynamics and calorimetric analyses