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.
Thermodynamic cycle constructed between the three investigated ligands of OppA to calculate their relative binding free energy. Physical states and processes are denoted in red, whereas alchemical processes along unphysical intermediate states are denoted in blue.
