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
To analyze the binding affinities and interaction modes between the drug candidates and their targets, we employed the Autodock Vina software [21]. Molecular structures of the candidate drugs and targ
