Molecular Dynamics Analysis of a Flexible Loop at the Binding Interface of the SARS-CoV-2 Spike Protein Receptor-Binding Domain
J. K. Williams, B. Wang, A. Sam, C. L. Hoop, D. A. Case, J. Baum
This paper uses molecular dynamics simulations to analyze the conformational flexibility of the SARS-CoV-2 RBD Loop 3 and identifies new unbound substates that could be therapeutic targets.
bioRxiv · Jan 8, 2021Biophysics