This project involves the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating mutants of these proteins in complex with each other (with glycosylation). The results from this study will help guide our understanding of how a natural mutation in the RBD (that arose in Scotland) impacts RBD:ACE2 binding as well as as antibody neutralization. Ultimately, the knowledge gained here will help infom drug design efforts.
List of Contributors
This project is managed by Ivy Zhang at Memorial Sloan Kettering Cancer Center.
Ivy Zhang is a Tri-Institutional Computational Biology and Medicine graduate student in the Chodera lab at the Memorial Sloan Kettering Cancer Center.
Enter the project number: