Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions. - Jordi Villá; Jörg Bentzien; Àngels González-Lafont; José M. Lluch; Juan Bertrán; Arieh Warshel (J. Comput. Chem., 2000)

An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions. - Jörg Bentzien; Eugene R. Hickey; Raymond A. Kemper; Mark L. Brewer; Jane D. Dyekjær; Stephen P. East; Mark Whittaker (J. Chem. Inf. Model., 2010)

DemQSAR: predicting human volume of distribution and clearance of drugs. - Ozgur Demir-Kavuk; Jörg Bentzien; Ingo Muegge; Ernst-Walter Knapp (J. Comput. Aided Mol. Des., 2011)

Kinase Crystal Miner: A Powerful Approach to Repurposing 3D Hinge Binding Fragments and Its Application to Finding Novel Bruton Tyrosine Kinase Inhibitors. - Prasenjit Mukherjee; Jörg Bentzien; Todd Bosanac; Wang Mao; Michael Burke; Ingo Muegge (J. Chem. Inf. Model., 2017)