ChemistryAtlas Dataset
PDBbind
Protein-ligand and dockingbinding affinityprotein-liganddocking
Curated protein-ligand complex structures with experimentally measured binding affinities.
- binding affinity prediction
- scoring function evaluation
Category: Protein-ligand and docking.
Citation: Wang et al., J Med Chem 2004; Liu et al., Bioinformatics 2015.