FTMap is our protein mapping server that identifies binding hot spots, which are regions of protein surface that make major contributions to the ligand-binding free energy. This server can help researchers determine druggability as well as provide information for drug discovery. The FTMap family of servers were featured on Nature Protocols in 2015.
ClusPro is our rigid body protein-protein docking server. Equipped with a variety of advanced docking modes, ClusPro can predict protein interactions and complexes tailored to the user’s need. The ClusPro server has been consistently successful in the community wide CAPRI (Critical Assessment of PRediction of Interactions) experiment. This work has also been published on Nature Protocols in 2017.
The Kinase Atlas contains solvent mapping results for all kinases in the Protein Data Bank. This provides a comprehensive druggability analysis of potential allosteric sites in all kinases. This work is the result of collaboration between Vajda, Whitty, Keseru and Kozakov groups, and was published on the Journal of Medicinal Chemistry in 2019.