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.
A) Virtual screening outline. B) MDP, the most potent hit identified from virtual screen (IC50 = 25 ± 0.35 μM; h = 0.93 ± 0.01) C) 3D alignment of query ligand DFTD and MDP. D) Elecrostatic maps comparison of query ligand DFTD and MDP. Positive and negative charges are shown in blue and red respectively.
