ContextShapes does rigid-body protein docking. It uses a novel contextshapes data structure to represent local surface regions/shapes on the protein. All critical points on both the receptor and ligand are represented via context shapes, and the best docking is found via pair-wise matching.
- Linux / MacOsX
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Zujun Shentu, Mohammad Al Hasan, Chris Bystroff and Mohammad J. Zaki,
Context Shapes: Efficient Complementary Shape Matching for Protein-Protein Docking.
Proteins: Structure, Function and Bioinformatics, 70(3):1056-1073. Feb 2008