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ProPairs: A Data Set for Protein-Protein Docking

ProPairs identifies and presents protein docking complexes and their unbound structures. They can be used as benchmark sets to develop or to test docking algorithms. ProPairs:

For a multi-chain protein complex different partitions into two binding partners are possible. Here, we use the existence of corresponding unbound structures in the PDB as the criterion for legitimate partitions of the considered protein complexes.


Jun/16 2017 - Updated data set (PDB snapshot: Jan/2017) + updated webpage (Commit)
Apr/26 2016 - Updated data set (PDB snapshot: Jan/2016) + support interactive filtering by S2 bonds (Commit)
Feb/18 2016 - ProPairs supports using time-stamped yearly snapshots of the PDB archive. (Commit)
Jul/06 2015 - The ProPairs webpage provides the data sets as single ZIP archives containing all PDB files. See "Raw data" for download links. (Commit)


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Krull, F., Korff, G., Elghobashi-Meinhardt, N., & Knapp, E. W. "ProPairs: A Data Set for Protein-Protein Docking" Journal of Chemical Information and Modeling 55 (2015) 1495–1507