Wilfred F. van Gunsteren

ETH Zurich CH

0000-0002-9583-7019

589

Publications

84,931

Citations

109

H-Index

433

i10-Index

3.89

2yr Mean Cite

Cite/Paper

Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar

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Publication & Citation Trends

Most Cited Works

Molecular dynamics with coupling to an external bath OA

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren, A. DiNola, J.R. Haak

The Journal of Chemical Physics 1984

30,694

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, Wilfred F. van Gunsteren

Journal of Computational Chemistry 2004

3,714

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

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko, Sereina Riniker, Moritz Winger +2 more

European Biophysics Journal 2011

2,507

Peptide Folding: When Simulation Meets Experiment

Xavier Daura, Karl Gademann, Bernhard Jaun, Dieter Seebàch, Wilfred F. van Gunsteren +1 more

Angewandte Chemie International Edition 1999

1,960

Algorithms for macromolecular dynamics and constraint dynamics

Wilfred F. van Gunsteren, Herman J. C. Berendsen

Molecular Physics 1977

1,737

Publications

589 total

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

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko, Sereina Riniker, Moritz Winger et al. - European Biophysics Journal, 2011

Cited by 2,507 OpenAlex

The GROMOS software for biomolecular simulation: GROMOS05 PDF

Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi et al. - Journal of Computational Chemistry, 2005

Cited by 651 OpenAlex

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, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 2004

Cited by 3,714 OpenAlex

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

Vincent Kr�utler, Wilfred F. van Gunsteren, Philippe H. H�nenberger - Journal of Computational Chemistry, 2001

Cited by 1,426 OpenAlex

An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

Lukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 2001

Cited by 886 OpenAlex

Peptide Folding: When Simulation Meets Experiment

Xavier Daura, Karl Gademann, Bernhard Jaun, Dieter Seebàch, Wilfred F. van Gunsteren et al. - Angewandte Chemie International Edition, 1999

Cited by 1,960 OpenAlex

The GROMOS Biomolecular Simulation Program Package

Walter R. P. Scott, Philippe H. Hünenberger, Ilario G. Tironi, Alan E. Mark, Salomon R. Billeter et al. - The Journal of Physical Chemistry A, 1999

Cited by 1,497 OpenAlex

A generalized reaction field method for molecular dynamics simulations

Ilario G. Tironi, René P. Sperb, Paul E. Smith, Wilfred F. van Gunsteren - The Journal of Chemical Physics, 1995

Cited by 1,458 OpenAlex

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

Thomas C. Beutler, Alan E. Mark, René C. van Schaik, Paul R. Gerber, Wilfred F. van Gunsteren - Chemical Physics Letters, 1994

Cited by 1,163 OpenAlex

Local elevation: A method for improving the searching properties of molecular dynamics simulation

Thomas Huber, Andrew E. Torda, Wilfred F. van Gunsteren - Journal of Computer-Aided Molecular Design, 1994

Cited by 578 OpenAlex

Research Topics

Protein Structure and Dynamics (371) Spectroscopy and Quantum Chemical Studies (194) Enzyme Structure and Function (136) DNA and Nucleic Acid Chemistry (79) Advanced Chemical Physics Studies (61)

Frequent Co-Authors

Alan E. Mark

5 joint publications

Herman J. C. Berendsen

4 joint publications

Johan P. M. Postma

2 joint publications

Chris Oostenbrink

2 joint publications

Xavier Daura

2 joint publications

Philippe H. Hünenberger

2 joint publications

Affiliations

Australian National University

AU 1997 - 1997

Universitat Autònoma de Barcelona

ES 1996 - 1996

Uppsala University

SE 1986 - 1985

University of Science and Technology of China

CN 2010 - 2010

DuPont (United States)

US 2009 - 2009

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Wilfred F. van Gunsteren

Publication & Citation Trends

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