TY - RPRT TI - Atomistic Prediction of Structures, Conformational Ensembles and Binding Energetics for the SARS-CoV-2 Spike JN.1, KP.2 and KP.3 Variants Using AlphaFold2 and Molecular Dynamics Simulations: Mutational Profiling and Binding Free Energy Analysis Reveal Epistatic Hotspots of the ACE2 Affinity and Immune Escape AU - Raisinghani, N. AU - Alshahrani, M. AU - Gupta, G. AU - Verkhivker, G. PY - 2024 DO - 10.1101/2024.07.09.602810 UR - https://www.biorxiv.org/content/10.1101/2024.07.09.602810v1 ID - 10.1101/2024.07.09.602810 ER -