Datasets used in paper "Identification of protein pockets and cavities by Euclidean Distance Transform"

<b>Protein-Ligand_dataset_48_structures_bu.tar.gz</b> - Set of 48 protein-ligand complexes used in the study: "Identification of protein pockets and cavities by Euclidean Distance Transform". The archive contains the cleaned PDB files of both bound and unbound protein structures (the unbound structures have already been superimposed on the bound ones). The ligand structures are also provided in separate files. The unbound structures have been renamed using the PDB code of the bound complex with the "_u" suffix.<br><b>PoCavEDT_predictions_pcd.tar.gz</b> - contains the voxelised representation of the inner and outer protein SE surfaces, candidate pockets/cavities and ligand SES surfaces generated by PoCavEDT from the dataset of 48 protein-ligand complexes used.<br><br><b>binaries_and_scripts.tar.gz </b>- PoCavEDT Linux binaries (x64, statically linked) and python scripts used to analyse the results.<br>