Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
The inter fragment interaction energies (IFIEs) between compound 9 and each Mpro residue for the structures of (a) cluster 1, (b) cluster 3, and (c) cluster 6. The total IFIEs between compound 9 and all Mpro residues are also shown for each cluster. The red bars indicate the residues with attractive IFIE, the size of which is larger than 10 kcal/mol. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
