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.
Comparison of the top scoring prediction of CS (green) and AutoDock Vina (pink) with respect to the co-crystallized ligand (light blue). In (A), the binding site of mmp13 (PDB: 830C) is depicted. It can be observed that CS predicts a near-native pose as top scoring, while AutoDock Vina places its top scoring pose far away from the binding pocket. The opposite scenario can be observed in panel (B) in the binding site of urok (PDB: 1SQT).
