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WG

Wilfred F. van Gunsteren

ETH Zurich CH

ORCID iD 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 + Semantic Scholar. 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

Practical Aspects of Free-Energy Calculations: A Review

Niels Hansen, Wilfred F. van Gunsteren - Journal of Chemical Theory and Computation, 2014
Cited by 388 OpenAlex

Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation

Nathan Schmid, Clara D. Christ, Markus Christen, Andreas P. Eichenberger, Wilfred F. van Gunsteren - Computer Physics Communications, 2011
Cited by 320 OpenAlex

Basic ingredients of free energy calculations: A review

Clara D. Christ, Alan E. Mark, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 2009
Cited by 395 OpenAlex

A new force field for simulating phosphatidylcholine bilayers

David Poger, Wilfred F. van Gunsteren, Alan E. Mark - Journal of Computational Chemistry, 2009
Cited by 338 OpenAlex

Biomolecular Modeling: Goals, Problems, Perspectives

Wilfred F. van Gunsteren, Dirk Bakowies, Riccardo Baron, Indira Chandrasekhar, Markus Christen et al. - Angewandte Chemie International Edition, 2006
Cited by 557 OpenAlex

Validation of the 53A6 GROMOS force field PDF

Chris Oostenbrink, Thereza A. Soares, Nico F. A. van der Vegt, Wilfred F. van Gunsteren - European Biophysics Journal, 2005
Cited by 498 OpenAlex

An improved OPLS–AA force field for carbohydrates

David B. Kony, Wolfgang Damm, Serge Stoll, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 2002
Cited by 290 OpenAlex

Comparison of four methods to compute the dielectric permittivity of liquids from molecular dynamics simulations

Tim N. Heinz, Wilfred F. van Gunsteren, Philippe H. Hünenberger - The Journal of Chemical Physics, 2001
Cited by 339 OpenAlex

Parametrization of aliphatic CHn united atoms of GROMOS96 force field

Xavier Daura, Alan E. Mark, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 1998
Cited by 408 OpenAlex

Reversible peptide folding in solution by molecular dynamics simulation 1 1Edited by R. Huber

Xavier Daura, Bernhard Jaun, Dieter Seebàch, Wilfred F. van Gunsteren, Alan E. Mark - Journal of Molecular Biology, 1998
Cited by 373 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

AL
Alan E. Mark
5 joint publications
XA
Xavier Daura
3 joint publications
PH
Philippe H. Hünenberger
3 joint publications
MA
Markus Christen
2 joint publications
CH
Chris Oostenbrink
2 joint publications
NI
Nico F. A. van der Vegt
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

External Profiles

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