Wilfred F. van Gunsteren

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

Natural Sciences, Chemistry, Physics +17

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6

Chris Oostenbrink, Alessandra Villa, Alan E. Mark et al. · Journal of Computational Chemistry · 2004 · 3.7K citations

Natural Sciences, Biophysics, Physics +17

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko et al. · European Biophysics Journal · 2011 · 2.5K citations · Full text

Natural Sciences, Physics, Use Of Force +4

Peptide Folding: When Simulation Meets Experiment

Xavier Daura, Karl Gademann, Bernhard Jaun et al. · Angewandte Chemie International Edition · 1999 · 2K citations

Life Sciences, Biochemistry, Biophysics +17

Algorithms for macromolecular dynamics and constraint dynamics

Wilfred F. van Gunsteren, Herman J. C. Berendsen · Molecular Physics · 1977 · 1.7K citations

Natural Sciences, Biophysics, Chemistry +17