Validation of Molecular Simulation: An Overview of Issues
van Gunsteren, Wilfred F., Daura, Xavier, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Riniker, Sereina, Smith, Lorna J.
Published in Angewandte Chemie International Edition (22.01.2018)
Published in Angewandte Chemie International Edition (22.01.2018)
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Journal Article
Practical Aspects of Free-Energy Calculations: A Review
Hansen, Niels, van Gunsteren, Wilfred F
Published in Journal of chemical theory and computation (08.07.2014)
Published in Journal of chemical theory and computation (08.07.2014)
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Journal Article
An improved simple polarisable water model for use in biomolecular simulation
Bachmann, Stephan J, van Gunsteren, Wilfred F
Published in The Journal of chemical physics (14.12.2014)
Published in The Journal of chemical physics (14.12.2014)
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Journal Article
GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2
Lin, Zhixiong, Bachmann, Stephan J, van Gunsteren, Wilfred F
Published in The Journal of chemical physics (07.03.2015)
Published in The Journal of chemical physics (07.03.2015)
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Journal Article
On developing coarse-grained models for biomolecular simulation: a review
Riniker, Sereina, Allison, Jane R, van Gunsteren, Wilfred F
Published in Physical chemistry chemical physics : PCCP (28.09.2012)
Published in Physical chemistry chemical physics : PCCP (28.09.2012)
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Journal Article
A new force field for simulating phosphatidylcholine bilayers
Poger, David, Van Gunsteren, Wilfred F., Mark, Alan E.
Published in Journal of computational chemistry (30.04.2010)
Published in Journal of computational chemistry (30.04.2010)
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Journal Article
Basic ingredients of free energy calculations: A review
Christ, Clara D, Mark, Alan E, van Gunsteren, Wilfred F
Published in Journal of computational chemistry (01.06.2010)
Published in Journal of computational chemistry (01.06.2010)
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Journal Article
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
Oostenbrink, Chris, Villa, Alessandra, Mark, Alan E., Van Gunsteren, Wilfred F.
Published in Journal of computational chemistry (01.10.2004)
Published in Journal of computational chemistry (01.10.2004)
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Journal Article
Multi-Resolution Simulation of Biomolecular Systems: A Review of Methodological Issues
Meier, Katharina, Choutko, Alexandra, Dolenc, Jozica, Eichenberger, Andreas P., Riniker, Sereina, van Gunsteren, Wilfred F.
Published in Angewandte Chemie (International ed.) (04.03.2013)
Published in Angewandte Chemie (International ed.) (04.03.2013)
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Journal Article
Biomolecular Modeling: Goals, Problems, Perspectives
van Gunsteren, Wilfred F., Bakowies, Dirk, Baron, Riccardo, Chandrasekhar, Indira, Christen, Markus, Daura, Xavier, Gee, Peter, Geerke, Daan P., Glättli, Alice, Hünenberger, Philippe H., Kastenholz, Mika A., Oostenbrink, Chris, Schenk, Merijn, Trzesniak, Daniel, van der Vegt, Nico F. A., Yu, Haibo B.
Published in Angewandte Chemie (International ed.) (19.06.2006)
Published in Angewandte Chemie (International ed.) (19.06.2006)
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Journal Article
Deriving Structural Information from Experimentally Measured Data on Biomolecules
van Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H., Smith, Lorna J.
Published in Angewandte Chemie (International ed.) (23.12.2016)
Published in Angewandte Chemie (International ed.) (23.12.2016)
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Journal Article