AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape.
Nishank RaisinghaniMohammed AlshahraniGrace GuptaSian XiaoPeng TaoGennady VerkhivkerPublished in: J. Chem. Inf. Model. (2024)