Wilfred F. van Gunsteren
Affiliations: | ETH 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: Physics Tree
Parents
Sign in to add mentor| 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 | |
Children
Sign in to add trainee| Chris Oostenbrink | grad student | ETH Zürich (Physics Tree) | |
| Christine Peter | grad student | 1999-2003 | Swiss Federal Institute of Technology (ETH-Zurich) |
| 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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Publications
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| Pechlaner M, van Gunsteren WF. (2020) Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulations. The Journal of Chemical Physics. 152: 024109 |
| Dolenc J, van Gunsteren WF, Prota AE, et al. (2019) Conformational Properties of the Chemotherapeutic Drug Analogue Epothilone A: How to Model a Flexible Protein Ligand Using Scarcely Available Experimental Data. Journal of Chemical Information and Modeling |
| van Gunsteren WF. (2019) The Roots of Bio‐Molecular Simulation: The Eight‐Week CECAM Workshop ‘Models for Protein Dynamics’ of 1976 Helvetica Chimica Acta. 102 |
| Smith LJ, van Gunsteren WF, Hansen N. (2017) Using Complementary NMR Data Sets to Detect Inconsistencies and Model Flaws in the Structure Determination of Human Interleukin-4. The Journal of Physical Chemistry. B |
| Smith LJ, Athill R, van Gunsteren WF, et al. (2017) Interpretation of seemingly contradictory data: low NMR S2 order parameters observed in helices and high NMR S2 order parameters in disordered loops of the protein hGH at low pH. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| 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, Daura X, Hansen N, et al. (2017) Validierung von molekularen Simulationen: eine Übersicht verschiedener Aspekte Angewandte Chemie. 130: 894-915 |
| 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) |
| Smith LJ, Rought Whitta G, Dolenc J, et al. (2016) A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF3)-Trp substituted analogs in different solvents. Bioorganic & Medicinal Chemistry |
| Dolenc J, Meier BH, Rusu VH, et al. (2016) Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion. Physical Chemistry Chemical Physics : Pccp |