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

Engineering, Activation Free Energies, Computational Chemistry +17

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

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 · 106 citations · Full text

Medicinal Chemistry, Biochemistry, Medicine +7

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 · 70 citations

Engineering, Nitrenium Hypothesis, Chemical Analysis +16

Nonsteroidal Dissociated Glucocorticoid Agonists Containing Azaindoles as Steroid A-Ring Mimetics

Doris Riether, Christian Harcken, Hossein Razavi et al. · Journal of Medicinal Chemistry · 2010 · 45 citations · Full text

Medicinal Chemistry, Anti-inflammatory, Biochemistry +13