Data: Identification of protein domain movements through hybrid automated-interactive docking of belinostat, HPOB and ricolinostat as inhibitors of histone deacetylase 6 (HDAC6)

Structure files, topology files, eigenvalue and eigenvector files to run DockIT with HDAC6 as the receptor and belinostat, HPOB, and ricolinostat as the ligand. Also available are ghost ligand structure files and DockIT workspace files. PDB formatted structure files can be saved from DockIT using the “Save” button. The results described in this article can be reproduced by loading these workspace files into DockIT and starting automated docking by pressing the “Auto” button.