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.
Representative docking poses. The crystallographic ligand was rebuilt and docked from scratch. (A–F) The crystal pose (magenta) is compared to the resulting docked pose (green). In (C), more ligand conformations are generated and the redocked pose is also shown (tan). Key hydrogen bonds are shown by black dotted lines, and the partially transparent protein surface is colored by atom type.
