dogear

enter for all results · esc to close

DUD-E (Directory of Useful Decoys, Enhanced)

dude.docking.orgsite

Structure-based virtual screening benchmark with active ligands and challenging decoy sets across diverse protein targets.

from
Computational Biology
added
2026-10-10
likes
0

similar

  1. CrossDocked2020 arxiv.org

    Large-scale dataset for structure-based virtual screening.

    site link ↗
  2. NeoDTI github.com

    Library for drug-target interaction prediction.

    tool link ↗
  3. DeepDTA github.com

    Deep learning model using CNNs on protein sequences and drug SMILES.

  4. DeepDow github.com

    Portfolio optimization with deep learning.

  5. ChEMBL ebi.ac.uk

    Bioactive molecules with drug-like properties.

    site link ↗
  6. Bento github.com

    Protein-ligand docking benchmark covering rigid, flexible, de novo, blind, induced-fit, and covalent docking tasks.

    tool link ↗

Computational Biology › Benchmarks & Datasets > Molecular, Protein & Drug Discovery: “Structure-based virtual screening benchmark with active ligands and challenging decoy sets across diverse protein targets.”