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Wilfred F. van Gunsteren

Affiliations: 
ETH Zürich, Zürich, ZH, Switzerland 
Area:
molecular dynamics
Website:
http://www.igc.ethz.ch/people/wfvgn
Google:
"Wilfred van Gunsteren"
Mean distance: 12.74
 
SNBCP
Cross-listing: Physics Tree

Parents

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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

Children

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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
BETA: Related publications

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
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