Wilfred F. van Gunsteren

Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland 
molecular dynamics
"Wilfred van Gunsteren"
Mean distance: 12.74
Cross-listing: Physics Tree


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Egbert Boeker grad student 1976 VU Amsterdam (Physics Tree)
 (The nuclear quasiparticle model : a study of the BCS model and its application to the nuclei around Z=50)
Herman J.C. Berendsen post-doc 1976-1978 RUG
Martin Karplus post-doc 1978-1980 Harvard


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Chris Oostenbrink grad student ETH Zürich (Physics Tree)
Christine Peter grad student 1999-2003 ETH Zürich
Haibo Yu grad student 2000-2004 ETH Zürich
Sereina Riniker grad student 2009-2012 ETH Zürich
Paul Edward Smith post-doc 1992-1993 ETH Zürich
Celia A. Schiffer post-doc 1992-1994 ETH Zürich
Florian Mueller-Plathe research scientist ETH Zürich
Alexandre MJJ Bonvin research scientist 1996-1998 ETH Zürich
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Pechlaner M, van Gunsteren WF, Hansen N, et al. (2022) Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme. European Biophysics Journal : Ebj. 51: 265-282
Pechlaner M, Oostenbrink C, van Gunsteren WF. (2021) On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins. Journal of Computational Chemistry
van Gunsteren WF, Daura X, Fuchs PFJ, et al. (2020) On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
van Gunsteren WF, Daura X, Hansen N, et al. (2017) Validation of Molecular Simulation: An Overview of Issues. Angewandte Chemie (International Ed. in English)
Riniker S, van Gunsteren WF. (2017) Erratum: "Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system" [J. Chem. Phys. 137, 044120 (2012)]. The Journal of Chemical Physics. 146: 129901
van Gunsteren WF, Allison JR, Daura X, et al. (2016) Deriving Structural Information from Experimentally Measured Data on Biomolecules. Angewandte Chemie (International Ed. in English)
Eichenberger AP, Huang W, Riniker S, et al. (2015) Supra-Atomic Coarse-Grained GROMOS Force Field for Aliphatic Hydrocarbons in the Liquid Phase. Journal of Chemical Theory and Computation. 11: 2925-2937
Eichenberger AP, van Gunsteren WF, Riniker S, et al. (2015) The key to predicting the stability of protein mutants lies in an accurate description and proper configurational sampling of the folded and denatured states. Biochimica Et Biophysica Acta. 1850: 983-95
Huang W, Riniker S, van Gunsteren WF. (2014) Rapid Sampling of Folding Equilibria of β-Peptides in Methanol Using a Supramolecular Solvent Model. Journal of Chemical Theory and Computation. 10: 2213-23
Szklarczyk OM, Bachmann SJ, van Gunsteren WF. (2014) A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons. Journal of Computational Chemistry. 35: 789-801
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