Wilfred F. van Gunsteren

New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters.

W. V. van Gunsteren, P. Hünenberger, P. Fuchs, 2011, Journal of chemical theory and computation.

Reversible peptide folding: Dependence on molecular force field used

Wolfgang Damm, Wilfred F. van Gunsteren, 2000 .

Relative free enthalpies for point mutations in two proteins with highly similar sequences but different folds.

Jane R. Allison, Niels Hansen, W. V. van Gunsteren, 2013, Biochemistry.

QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians.

Walter Thiel, Stephan Thiel, Wilfred F. van Gunsteren, 2008, Physical chemistry chemical physics : PCCP.

Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations

W. V. Gunsteren, F. Müller-Plathe, C. Berweger, 1997, J. Comput. Chem..

β‐Hairpin folding and stability: molecular dynamics simulations of designed peptides in aqueous solution

Xavier Daura, X. Daura, W. V. van Gunsteren, 2004, Journal of peptide science : an official publication of the European Peptide Society.

Flexible Boundaries for Multiresolution Solvation: An Algorithm for Spatial Multiscaling in Molecular Dynamics Simulations.

Oliwia M. Szklarczyk, Noah S. Bieler, W. V. van Gunsteren, 2015, Journal of chemical theory and computation.

Efficient Combination of Environment Change and Alchemical Perturbation within the Enveloping Distribution Sampling (EDS) Scheme: Twin-System EDS and Application to the Determination of Octanol-Water Partition Coefficients.

Niels Hansen, W. V. van Gunsteren, P. Hünenberger, 2013, Journal of chemical theory and computation.