Stefan M. Kast

Enhancement of the Wolf Damped Coulomb Potential:  Static, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation

Dirk Zahn, Bernd Schilling, Stefan M. Kast · The Journal of Physical Chemistry B · 2002 · 158 citations

Electrohydrodynamics, Engineering, Wetting +19

Overcoming EGFRG724S-mediated osimertinib resistance through unique binding characteristics of second-generation EGFR inhibitors

Jana Fassunke, Fabienne Müller, Marina Keul et al. · Nature Communications · 2018 · 139 citations · Full text

Binary Phases of Aliphatic <i>N</i>-Oxides and Water:  Force Field Development and Molecular Dynamics Simulation

Kristine M. Kast, Jürgen Brickmann, Stefan M. Kast et al. · The Journal of Physical Chemistry A · 2003 · 133 citations

Engineering, Empirical Force Field, Force Field Development +20

Potential energy function for apatites

Sven Hauptmann, Hagen Dufner, Jürgen Brickmann et al. · Physical Chemistry Chemical Physics · 2003 · 127 citations

Engineering, Computational Chemistry, Chemistry +19

Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach

Julian Engel, André Richters, Matthäus Getlik et al. · Journal of Medicinal Chemistry · 2015 · 112 citations · Full text

Covalent Inhibitors, Drug Target, Molecular Biology +22