Structure, Dynamics and Free Energy Studies on the Effect of Spot Mutations on SARS-CoV-2 Spike Protein Binding with ACE2 Receptor
This study uses MD simulations and free energy perturbation to analyze how spot mutations in SARS-CoV-2 RBD affect binding to ACE2, identifying which mutations strengthen or weaken the interaction.
bioRxiv · Jul 19, 2023 · PreprintBiophysics