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.
Automatic docking of small molecules to CCR5. Computationally derived docking modes are shown with carbons in green; the binding mode obtained by crystallography is shown with carbons in magenta. A, successful method evaluation as self-docking reproduces the crystal binding mode of maraviroc to CCR5. For clarity, only the small molecules are shown as the receptor was kept rigid in the docking process. B, aligned docking poses of maraviroc and SCH-C.
