Research ArticleArticle
Computational Prediction of Binding Affinity for CYP1A2-Ligand Complexes Using Empirical Free Energy Calculations
Poongavanam Vasanthanathan, Lars Olsen, Flemming Steen Jørgensen, Nico P. E. Vermeulen and Chris Oostenbrink
Drug Metabolism and Disposition August 2010, 38 (8) 1347-1354; DOI: https://doi.org/10.1124/dmd.110.032946