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Wilfred F. van Gunsteren

ETH ZurichORCID https://orcid.org/0000-0002-9583-7019

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Impact (2-yr)

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Top Publications

Molecular dynamics with coupling to an external bath

The Journal of Chemical Physics198430,535 citations

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

Journal of Computational Chemistry20043,702 citationsCorresponding

Algorithms for macromolecular dynamics and constraint dynamics

Molecular Physics19771,734 citationsFirst authorCorresponding

Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

Angewandte Chemie International Edition in English19901,539 citationsFirst authorCorresponding

The GROMOS Biomolecular Simulation Program Package

The Journal of Physical Chemistry A19991,494 citations

A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations

Journal of Computational Chemistry20011,416 citations

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

Chemical Physics Letters19941,153 citationsCorresponding

Algorithms for brownian dynamics

Molecular Physics1982552 citationsFirst authorCorresponding

Wilfred F. van Gunsteren · Scinovex