Allosteric Control Overcomes Steric Limitations for Neutralizing Antibodies Targeting Conserved Binding Epitopes of the SARS-CoV-2 Spike Protein: Exploring the Intersection of Binding, Allostery and Immune Escape with Multimodal Computational Approach

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Abstract

Keywords: SARS-CoV-2 spike protein; Omicron variants; antibody binding; immune escape; molecular dynamics; protein stability; mutational scanning; binding energetics; ; evolutionary mechanisms

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