Wilfred F. van Gunsteren
Affiliations: | Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland |
Area:
molecular dynamicsWebsite:
http://www.igc.ethz.ch/people/wfvgnGoogle:
"Wilfred van Gunsteren"Mean distance: 12.74 | S | N | B | C | P |
Cross-listing: Chemistry Tree
Parents
Sign in to add mentor| Egbert Boeker | grad student | 1976 | VU Amsterdam | |
| (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 (Chemistry Tree) | |
| Martin Karplus | post-doc | 1978-1980 | Harvard (Chemistry Tree) | |
Children
Sign in to add trainee| Chris Oostenbrink | grad student | ETH Zürich | |
| Christine Peter | grad student | 1999-2003 | ETH Zürich (Chemistry Tree) |
| Haibo Yu | grad student | 2000-2004 | ETH Zürich (Chemistry Tree) |
| Sereina Riniker | grad student | 2009-2012 | ETH Zürich (Chemistry Tree) |
| Paul M King | post-doc | 1990-1993 | ETH Zürich (Chemistry Tree) |
| Paul Edward Smith | post-doc | 1992-1993 | ETH Zürich (Chemistry Tree) |
| Celia A. Schiffer | post-doc | 1992-1994 | ETH Zürich (Chemistry Tree) |
| Florian Mueller-Plathe | research scientist | ETH Zürich (Chemistry Tree) | |
| Alexandre MJJ Bonvin | research scientist | 1996-1998 | ETH Zürich (Neurotree) |
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Publications
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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 |