Structure adaptation in Omicron SARS-CoV-2/hACE2:Biophysical origins of evolutionary driving forces
Y.-W. Hsiao, T. Taddese, G. Jimenez-Serratos, D. J. Bray, J. Crain
This study uses molecular dynamics simulations to analyze structural and electrostatic changes in the SARS-CoV-2 Omicron variants (BA.1 and BA.2) compared to the wild type, revealing how mutations affect spike protein-hACE2 interactions and binding mechanisms.
bioRxiv · Dec 20, 2022Biophysics