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 Raisinghani; Mohammed Alshahrani; Grace Gupta; Sian Xiao; Peng Tao 001; Gennady Verkhivker (J. Chem. Inf. Model., 2024)