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PocketQuery

PPI Inhibitor Starting Points from PPI Structure

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The top ranked cluster in this example screen of the p53/MDM2 interface, an anti-cancer target, is a proven starting point for drug discovery.

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PocketQuery is a web service for interactively exploring not only hot spot and anchor residues, but hot regions, defined by clusters of residues, at the interface of protein-protein interactions.

An assortment of metrics, including changes in solvent accessible surface area, energy-based scores, and sequence conservation, are available to screen and sort clusters of residues.

PocketQuery was developed by David Koes from the Camacho Lab in the Department of Computational and System Biology at the University of Pittsburgh.

This open access technology is funded through 1R01GM097082-01 from the National Institute of General Medical Sciences. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute of General Medical Sciences or the National Institutes of Health.
Copyright 2011-2013 Camacho Lab