Bernd Kuhn

Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations

Natural Sciences, Biochemistry, Biophysics +17

Intramolecular Hydrogen Bonding in Medicinal Chemistry

Bernd Kuhn, Peter J. Mohr, Martin Ståhl · Journal of Medicinal Chemistry · 2010 · 568 citations

Pharmacy, Chemistry, Medicinal Chemistry +15

Binding of a Diverse Set of Ligands to Avidin and Streptavidin:  An Accurate Quantitative Prediction of Their Relative Affinities by a Combination of Molecular Mechanics and Continuum Solvent Models

Bernd Kuhn, Peter A. Kollman · Journal of Medicinal Chemistry · 2000 · 508 citations

Natural Sciences, Biophysics, Chemistry +17

Systematic Investigation of Halogen Bonding in Protein–Ligand Interactions

Leo A. Hardegger, Bernd Kuhn, Beat Spinnler et al. · Angewandte Chemie International Edition · 2010 · 486 citations

Life Sciences, Chemistry, Medicinal Chemistry +15

Validation and Use of the MM-PBSA Approach for Drug Discovery

Bernd Kuhn, Paul R. Gerber, Tanja Schulz‐Gasch et al. · Journal of Medicinal Chemistry · 2005 · 463 citations

Pharmacy, Biophysics, Medicinal Chemistry +17