LEADS-PEP dataset

LEADS-PEP dataset manually curated to optimize the hydrogen bond network considering protein and ligand protonation states.The description of this dataset preparation and the performance of the DockThor program are published in the following reference:dos Santos, K. B.; Guedes, I. A.; Karl, A. L. M.; Dardenne, L. Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Dataset. J. Chem. Inf. Model. 2020, acs.jcim.9b00905. https://doi.org/10.1021/acs.jcim.9b00905.