Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein
T. A. Hasse, E. Mantei, R. Shahoei, S. Pawnikar, J. Wang, Y. Miao, Y.-m. M. Huang
This study investigates ligand dissociation from the SARS-CoV-2 spike glycoprotein using simulations, revealing two unbinding pathways and key residues involved in ligand binding and ACE2 interaction.
bioRxiv · Nov 29, 2023Biophysics