SuperStar is a program for generating maps of interaction sites in proteins or around small molecules using experimental information about intermolecular interactions. The interaction maps that SuperStar generates are therefore fully knowledge-based.

SuperStar retrieves its data from IsoStar, CCDC's interaction database. IsoStar contains information about non-bonded interactions from both the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB).

SuperStar features:

• Fast generation of maps (less than 1 minute per binding site)
• Use of either CSD or PDB data
• Metal coordination data
• A choice of interfaces via Hermes or SYBYL
• Expert command-line interface
• Built-in cavity detection that selects residues automatically
• Knowledge-based approach: all results can be traced back to experimentally observed geometries of interaction
• Application of parameterised Gaussian functions for speeding up calculations
• Choice of 14 CSD probes and 6 PDB probes selected for diversity and data availability (including a water probe)
• Visualisation through 3D maps, Connolly surfaces, scatterplots, and pharmacophore fitting points
• Extensive validation on a test set of 305 protein-ligand complexes from the PDB and this is available for download.

Users of the Hermes interface to SuperStar may be interested to know that Hermes acts as a hub for many of CCDC's products, for more information please refer to the Hermes product page.

SuperStar is available as an option to all CSD System subscribers.
For a free evaluation of SuperStar, normally available for those interested in purchase, please contact CCDC.