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Wilfred F. van Gunsteren
Researcher at École Polytechnique Fédérale de Lausanne
Publications - 427
Citations - 34308
Wilfred F. van Gunsteren is an academic researcher from École Polytechnique Fédérale de Lausanne. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 86, co-authored 427 publications receiving 31426 citations. Previous affiliations of Wilfred F. van Gunsteren include University of Oxford & University of Groningen.
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Journal ArticleDOI
Exploring the Conserved Water Site and Hydration of a Coiled-Coil Trimerisation Motif: A MD Simulation Study
Jožica Dolenc,Jožica Dolenc,Riccardo Baron,John Missimer,Michel O. Steinmetz,Wilfred F. van Gunsteren +5 more
TL;DR: The solvent structure and dynamics around ccβ‐p, a 17‐residue peptide that forms a parallel three‐stranded α‐helical coiled coil in solution, was analysed and it is shown that little direct correlation exists between the solvent density distribution and the temporal ordering of water around the trimeric coiled Coil.
Book ChapterDOI
Aspects of Modeling Biomolecular Structure on the Basis of Spectroscopic or Diffraction Data
Wilfred F. van Gunsteren,Wilfred F. van Gunsteren,Alexandre M. J. J. Bonvin,Xavier Daura,Lorna J. Smith +4 more
Journal ArticleDOI
Die sieben Todsünden akademischen Handelns in der naturwissenschaftlichen Forschung
Journal ArticleDOI
Bestimmung von strukturinformation aus experimentellen messdaten für biomoleküle
Wilfred F. van Gunsteren,Jane R. Allison,Jane R. Allison,Xavier Daura,Xavier Daura,Jožica Dolenc,Niels Hansen,Alan E. Mark,Chris Oostenbrink,Victor H. Rusu,Lorna J. Smith +10 more
Journal ArticleDOI
Molecular Dynamics Simulations With First Order Coupling to a Bath of Constant Chemical Potential
TL;DR: In this paper, a weak coupling technique to control system properties using a first-order relaxation equation is analyzed from a statistical mechanics point of view, which can be generalized and applied to a bath of contstant chemical potential.