Wilfred F van Gunsteren

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 8

Top Topics

Molecularly Imprinted

Virtual Reality

Raman Spectroscopy

Top Venues

Journal of chemical information and modeling

Angewandte Chemie (International ed. in English)

Chemistry (Weinheim an der Bergstrasse, Germany)

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Wilfred F van Gunsteren, Chris Oostenbrink
Methods for Classical-Mechanical Molecular Simulation in Chemistry: Achievements, Limitations, Perspectives. Journal of chemical information and modeling (2024)
Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith, Bartosz Stankiewicz, Lukas N Wirz, Niels Hansen
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. Journal of chemical information and modeling (2024)
Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith, Bartosz Stankiewicz, Lukas N Wirz, Niels Hansen
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. Journal of chemical information and modeling 64 (12) (2024)
Wilfred F van Gunsteren, Chris Oostenbrink
Methods for Classical-Mechanical Molecular Simulation in Chemistry: Achievements, Limitations, Perspectives. Journal of chemical information and modeling 64 (16) (2024)
Maria Pechlaner, Wilfred F van Gunsteren
Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulations. The Journal of chemical physics 152 (2) (2020)
Wilfred F van Gunsteren, Xavier Daura, Niels Hansen, Alan E Mark, Chris Oostenbrink, Sereina Riniker, Lorna J Smith
Validation of Molecular Simulation: An Overview of Issues. Angewandte Chemie (International ed. in English) 57 (4) (2017)
Lorna J Smith, Roya Athill, Wilfred F van Gunsteren, Niels Hansen
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) 23 (40) (2017)
Wilfred F van Gunsteren, Jane R Allison, Xavier Daura, Jožica Dolenc, Niels Hansen, Alan E Mark, Chris Oostenbrink, Victor H Rusu, Lorna J Smith
Deriving Structural Information from Experimentally Measured Data on Biomolecules. Angewandte Chemie (International ed. in English) 55 (52) (2016)