Comma separated values with zincid, smiles, dock score (kcal/mol), heavy atom count for a docking calculation against the dopamine D4 receptor. To be published in nature: Lyu et. al.
Mutated sequences of DNA topoisomerase IV (subunit C) protein (mutations recorded in 2015) associated with P. aeruginosa are modeled and docked with a molecule of Nalidixic Acid. The data from subsequ
Dataset OverviewThis dataset contains protein-ligand binding affinity data organized into training and validation sets, along with supporting files for sequence alignment and temporal splitting experi
