| license: other | |
| task_categories: | |
| - other | |
| tags: | |
| - protein-ligand | |
| - molecular-docking | |
| - drug-discovery | |
| - structural-biology | |
| - pdb | |
| - binding-affinity | |
| size_categories: | |
| - 1K<n<10K | |
| # PDBbind 2020 Refined Set | |
| Curated collection of 5,316 high-quality protein-ligand complexes with experimentally measured binding affinity data from PDBbind v.2020 refined set. | |
| ## Structure | |
| - 5,316 directories named by PDB ID | |
| - Each contains: protein.pdb, pocket.pdb, ligand.mol2, ligand.sdf | |
| - Total size: ~2.7 GB | |
| ## Citation | |
| Liu, Z.H. et al. Acc. Chem. Res. 2017, 50, 302-309. | |