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Protein-peptide docking dataset used in the following article:
"A unified conformational selection and induced fit approach to protein-peptide docking." by Trellet M, Melquiond ASJ, Bonvin AMJJ. Mar 2013. PLoS One 8(3) DOI: 10.1371/journal.pone.0058769
This is an extension of the PeptiDB benchmark published by London N. et al. DOI: 10.1016/j.str.2009.11.012
The dataset contains:
- 98 protein-peptide bound complexes (list in bound-complexes.list)
- 59 receptor unbound forms (list in unbound-complexes.list)
- 98 peptide unbound forms
The restraints to guide the docking are based on:
- protein binding site as active (defined with a 5A cutoff)
- peptide defined as fully passive