Mechanistic investigation of SARS-CoV-2 Omicron variant spike mutants via full quantum mechanical modeling
M. Zaccaria, L. Genovese, B. Lawhorn, W. Dawson, A. S. Joyal, J. Hu, P. Autissier, T. Nakajima, W. E. Johnson, I. Fofana, M. Farzan, B. Momeni
The paper uses quantum mechanical modeling to predict and analyze binding strengths of SARS-CoV-2 spike variants to the human ACE2 receptor, validating predictions experimentally.
bioRxiv · Dec 1, 2021Biophysics