Published May 28, 2025 | Version 1
Dataset Open

Data: Protein domain movement involved in binding of belinostat and HPOB as inhibitors of histone deacetylase 6 (HDAC6): A hybrid automated-interactive docking study

Authors/Creators

  • 1. ROR icon University of East Anglia

Contributors

  • 1. ROR icon University of East Anglia
  • 2. ROR icon Tokyo Institute of Technology

Description

Structure files, topology files, eigenvalue and eigenvector files to run DockIT with HDAC6 as the receptor and belinostat and HPOB as the ligand. Also available are ghost ligand structure files and DockIT workspace files. 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.

Files

Iakovou_et_al_JCAMD_Data.zip

Files (190.2 MB)

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Additional details

Dates

Submitted
2025-05-27
Data required to meet Data and Software Availability requirements.