Capoferri, Luigi; Verkade-Vreeker, Marlies C. A.; Buitenhuis, Danny; Commandeu, Jan N.M.; Pastor Maeso, Manuel; Vermeulen, Nico P. E.; Geerke, Daan P.
(Public Library of Science, 2015)
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substrates and inhibitors, represents an important task for predicting drug-drug interactions. A quantitative assessment of the ligand ...