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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

2021Journal of Molecular Graphics and Modelling74 citationsDOIOpen Access PDF

Topics & Concepts

MutationMutantReceptorBinding siteAffinity maturationHydrogen bondMolecular dynamicsAntibodyBiophysicsNeutralizationBiologyChemistryVirologyBiochemistryGeneticsMoleculeGeneComputational chemistryOrganic chemistrySARS-CoV-2 and COVID-19 ResearchMonoclonal and Polyclonal Antibodies Researchthermodynamics and calorimetric analyses
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 | Litcius