Welcome to DrugQuery, a multi-target molecular docking server built for predicting the protein targets of bioactive small molecules.

The DrugQuery library currently has 7957 predicted binding sites on 2069 protein structures of 1245 human genes, all available for docking.

To date, 42 compounds have been screened using DrugQuery. Results are fully searchable and predicted targets and binding models are all available for download.

This work is funded by U.S. National Science Foundation Graduate Research Fellowship Grant 1247842. For user support, contact Nicolas Pabon ( npabon at pitt dot edu ). © Nicolas Pabon.