Drug Discovery

Two valuable research tools for drug discovery have been developed by members of our team though support from the In Silico Research Center of Excellence (ISRCE). The goal of our drug discovery efforts is to generate novel cancer research findings, including drug targets, by mining the rich data sets currently available without access restrictions to the cancer community.

The LigFam protein-ligand database provides a valuable infrastructure for research directed towards the development of new drugs and treatments, structure-based modeling, and identification of protein functions.  See here for more…

The Drug Informatics Database contains hundreds of known small molecule inhibitors for specific cancer targets and is continually being annotated with information about chemical structure/property data and experimental data. See here for more…