data associated with the paper on ranking docked pepdides with RF classifiers
the tableS1.xlsx spreadsheet provides the information from tableS1
l299.list provides a list of complexes names witht he following convention. The PDB id is followed by the peptide chain id and the protein chaind ids forming the biological unit. the number of at the end of the filename is the 0-based biomolecule record of the correspondng to this complex.
The trainingSet folder contains PDBQT files for receptors and the corersponding ligands
The testingSet folder contains the 47 complexes from the the:
Robert Rentzsch, Bernhard Y. Renard, Docking small peptides remains a great challenge: an assessment using AutoDock Vina, Briefings in Bioinformatics, Volume 16, Issue 6, November 2015, Pages 1045–1056, https://doi.org/10.1093/bib/bbv008