Main content

TOUGH-D1

  1
Contributors:

Date created: | Last Updated:

: DOI | ARK

Creating DOI. Please wait...

Create DOI

Category: Project

Description: Dataset to evaluate algorithms for ligand docking

Wiki

Dataset

TOUGH-D1 comprises the experimental structures of ligand-protein complexes having aromatic contacts at the interface. The following files are included:

Lists

TOUGH-D1_complex.list

A list of 3079 complexes

Data

TOUGH-D1_dataset.tar.gz

A tarball containing the following files (13pkD as an example):

  • target structure in PDB format (13pkD.pdb)
  • bound ligand in MOL format (13pkD.mol)
  • ligand-prot…

Files

Files can now be accessed and managed under the Files tab.

Citation

Tags

Aromatic interactionsAromatic stackingAutoDock VinaComputational biologyligand bindingLigand dockingMolecular dockingmolecular modelingnon-covalent interactionsparallel stackingperpendicular stackingpi-pi interactionsprotein-ligand complexesrDock

Recent Activity

Unable to retrieve logs at this time. Please refresh the page or contact support@osf.io if the problem persists.

OSF does not support the use of Internet Explorer. For optimal performance, please switch to another browser.
Accept
This website relies on cookies to help provide a better user experience. By clicking Accept or continuing to use the site, you agree. For more information, see our Privacy Policy and information on cookie use.
Accept
×

Start managing your projects on the OSF today.

Free and easy to use, the Open Science Framework supports the entire research lifecycle: planning, execution, reporting, archiving, and discovery.

Copyright © 2011-2025 Center for Open Science | Terms of Use | Privacy Policy | Status | API
TOP Guidelines | Reproducibility Project: Psychology | Reproducibility Project: Cancer Biology