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.
Predicted binding poses and MM-GB/SA values by the molecular docking simulation. ACTPER contains chemical compounds predicted to bind to AhR when analyzed by a molecular docking simulation. (A) Crystal structure of AhR-LBD. 2D AhR-LBD interaction diagram in complex with (B) FICZ, (C) rosmarinic acid, (D) chlorogenic acid and (E) caffeic acid; (F) MM-GBSA binding free energy values. The more negative MM-GBSA value indicates stronger binding.
