Entropic overcompensation of the N501Y mutation on SARS-CoV-2 S binding to ACE2
N. Gupta Vergara, M. Gatchel, C. F. Abrams
This study uses molecular dynamics simulations to show that the N501Y mutation in SARS-CoV-2 S increases binding affinity to ACE2 by reducing entropic penalties through increased quaternary flexibility.
bioRxiv · Aug 30, 2022Biophysics