Paul R. Gerber

Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations

Thomas C. Beutler, Alan E. Mark, René C. van Schaik et al. · Chemical Physics Letters · 1994 · 1.1K citations

Engineering, Physics, Natural Sciences +11

MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry

Paul R. Gerber, Klaus M�ller · Journal of Computer-Aided Molecular Design · 1995 · 591 citations

Molecular Docking, Structure Modelling, Medicinal Chemistry +10

Predicting plasma protein binding of drugs: a new approach

Nicole A. Kratochwil, Walter Huber, Francis Müller et al. · Biochemical Pharmacology · 2002 · 543 citations

Drug Target, Biochemistry, Medicine +4

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 · 459 citations

Drug Target, Engineering, Hit Identification +20

Electro-Optical Effects of a Small-Pitch Blue-Phase System

Paul R. Gerber · Molecular crystals and liquid crystals · 1985 · 195 citations

Photonics, Optical Materials, Visible Light +15