Wilfred F van Gunsteren

11PUBLICATIONS
7CO-AUTHORS
Nonlinear optics and spectroscopyStructural properties of condensed matterCharacterisation of biological macromoleculesComputational chemistryRadiation and matter
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Publications (11)

|Dec 12, 2025
A Structural Ensemble of Hen Egg-White Lysozyme in Aqueous Solution Based on 2043 NMR NOE, 3J-Coupling and S2 Order-Parameter Data.

Lorna J Smith, Wilfred F van Gunsteren, Niels Hansen

|Sep 26, 2025
Use of Measured Residual Dipolar Couplings to Calculate Residual Dipolar Couplings for a Protein Structure: A Case Study Using Hen Egg-White Lysozyme.

Maria Pechlaner, Wilfred F van Gunsteren, Niels Hansen

|Mar 13, 2025
Molecular Structure Refinement of a ß-Heptapeptide Based on Residual Dipolar Couplings: The Challenge of Extracting Structural Information from Measured RDCs.

Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith

|Aug 13, 2024
Methods for Classical-Mechanical Molecular Simulation in Chemistry: Achievements, Limitations, Perspectives.

Wilfred F van Gunsteren, Chris Oostenbrink

|Jul 31, 2024
Molecular structure refinement based on residual dipolar couplings using magnetic-field rotational sampling.

Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith

|Jun 11, 2024
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach.

Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith

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Frequent Collaborators

9 joint publications

Lorna J Smith

8 joint publications

Niels Hansen

6 joint publications

Maria Pechlaner

2 joint publications

Chris Oostenbrink