Protein-protein docking benchmark version 4.0
Department of Biochemistry and Molecular Pharmacology; Program in Bioinformatics and Integrative Biology
*Algorithms; Computational Biology; Crystallography, X-Ray; Databases, Protein; *Models, Chemical; Models, Molecular; Nuclear Magnetic Resonance, Biomolecular; Protein Conformation; Protein Interaction Mapping; Proteins; *Software
Biochemistry, Biophysics, and Structural Biology | Bioinformatics | Computational Biology | Systems Biology
We updated our protein-protein docking benchmark to include complexes that became available since our previous release. As before, we only considered high-resolution complex structures that are nonredundant at the family-family pair level, for which the X-ray or NMR unbound structures of the constituent proteins are also available. Benchmark 4.0 adds 52 new complexes to the 124 cases of Benchmark 3.0, representing an increase of 42%. Thus, benchmark 4.0 provides 176 unbound-unbound cases that can be used for protein-protein docking method development and assessment. Seventeen of the newly added cases are enzyme-inhibitor complexes, and we found no new antigen-antibody complexes. Classifying the new cases according to expected difficulty for protein-protein docking algorithms gives 33 rigid body cases, 11 cases of medium difficulty, and 8 cases that are difficult. Benchmark 4.0 listings and processed structure files are publicly accessible at http://zlab.umassmed.edu/benchmark/.
DOI of Published Version
Proteins. 2010 Nov 15;78(15):3111-4. doi: 10.1002/prot.22830. Link to article on publisher's site
Hwang, Howook; Vreven, Thom; Janin, Joel; and Weng, Zhiping, "Protein-protein docking benchmark version 4.0" (2010). Program in Bioinformatics and Integrative Biology Publications and Presentations. 30.