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.
Correlation between the experimental binding free energy and the MM/PBSA estimates obtained with GAFF (left) or OPLS (right). Blue circles represent OAMe complexes, red squares represent OAH complexes, and the green square represents the OAH–Gu2 complex
