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 MM-GBSA calculations for the best two complexes after 50 ns MDS. Red coloured residues represent the residue have negative contribution on the binding (positive binding energies). The average binding free energies and its individual terms are shown at the bottom for each complex with its standard deviations.
