Jörg Bentzien

Hybrid ab Initio Quantum Mechanics/Molecular Mechanics Calculations of Free Energy Surfaces for Enzymatic Reactions:  The Nucleophilic Attack in Subtilisin

Jörg Bentzien, Richard P. Muller, Jan Florián et al. · The Journal of Physical Chemistry B · 1998 · 192 citations

Natural Sciences, Biochemistry, Chemistry +16

Combining computational and experimental screening for rapid optimization of protein properties

Robert J. Hayes, Jörg Bentzien, Marian Y. Hwang et al. · Proceedings of the National Academy of Sciences · 2002 · 130 citations · Full text

Engineering, Bioengineering, Biotechnology +17

Trifluoromethyl group as a pharmacophore: Effect of replacing a CF3 group on binding and agonist activity of a glucocorticoid receptor ligand

Raj Betageri, Yan Zhang, Renée Zindell et al. · Bioorganic & Medicinal Chemistry Letters · 2005 · 107 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +16

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 et al. · Journal of Chemical Information and Modeling · 2010 · 71 citations

Natural Sciences, Chemistry, Toxicology +16

5-Aminomethylbenzimidazoles as potent ITK antagonists

Doris Riether, Renée Zindell, Jennifer A. Kowalski et al. · Bioorganic & Medicinal Chemistry Letters · 2009 · 45 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +8