Wilfred F. van Gunsteren

发表

Thirty-five years of biomolecular simulation: development of methodology, force fields and software

Jožica Dolenc, Wilfred F. van Gunsteren, W. V. van Gunsteren, 2012 .

An effective force field for molecular dynamics simulations of dimethyl sulfone

Niels Hansen, Wilfred F. van Gunsteren, W. V. van Gunsteren, 2011 .

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

Franca Fraternali, Jane R. Allison, Jens Kleinjung, 2012, Journal of chemical theory and computation.

Directed Evolution of a Model Primordial Enzyme Provides Insights into the Development of the Genetic Code

Donald Hilvert, Jane R. Allison, Philippe Marlière, 2013, PLoS genetics.

A Comparison of Non-Bonded Scaling Approaches for Free Energy Calculations

Jed W. Pitera, Wilfred F. van Gunsteren, J. Pitera, 2002 .

A simple, efficient polarizable molecular model for liquid carbon tetrachloride

Anna-Pitschna E. Kunz, Andreas P. Eichenberger, Wilfred F. van Gunsteren, 2011 .

Simulating the Physiological Phase of Hydrated DPPC Bilayers: The Ester Moiety

Chris Oostenbrink, Wilfred F. van Gunsteren, Indira Chandrasekhar, 2004 .

Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site

Chris Oostenbrink, Jožica Dolenc, Wilfred F. van Gunsteren, 2005, Nucleic acids research.

A comparison of the potential energy parameters of aliphatic alkanes: molecular dynamics simulations of triacylglycerols in the alpha phase

Wilfred F. van Gunsteren, W. V. van Gunsteren, I. Chandrasekhar, 2002, European Biophysics Journal.

Molecular dynamics simulations of photoactive yellow protein (PYP) in three states of its photocycle: a comparison with X-ray and NMR data and analysis of the effects of Glu46 deprotonation and mutation

Iris Antes, Walter Thiel, Wilfred F. van Gunsteren, 2002, European Biophysics Journal.

Dynamics May Significantly Influence the Estimation of Interatomic Distances in Biomolecular X-ray Structures

Bojan Zagrovic, Navraj S. Pannu, Wilfred F. van Gunsteren, 2011, Journal of molecular biology.

Molecular dynamics simulation of n-dodecyl phosphate aggregate structures

Lukas D. Schuler, Wilfred F. van Gunsteren, Peter Walde, 2001, European Biophysics Journal.

Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules

Urs Stocker, Wilfred F. van Gunsteren, W. V. van Gunsteren, 2003 .

On the use of one-step perturbation to investigate the dependence of different properties of liquid water on a variation of model parameters from a single simulation†

Jozica Dolenc, Wilfred F. van Gunsteren, W. V. van Gunsteren, 2013 .