The GROMOS software for biomolecular simulation: GROMOS05
Christen, Markus, Hünenberger, Philippe H., Bakowies, Dirk, Baron, Riccardo, Bürgi, Roland, Geerke, Daan P., Heinz, Tim N., Kastenholz, Mika A., Kräutler, Vincent, Oostenbrink, Chris, Peter, Christine, Trzesniak, Daniel, van Gunsteren, Wilfred F.
Published in Journal of computational chemistry (01.12.2005)
Published in Journal of computational chemistry (01.12.2005)
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Journal Article
An improved nucleic acid parameter set for the GROMOS force field
Soares, Thereza A., Hünenberger, Philippe H., Kastenholz, Mika A., Kräutler, Vincent, Lenz, Thomas, Lins, Roberto D., Oostenbrink, Chris, van Gunsteren, Wilfred F.
Published in Journal of computational chemistry (01.05.2005)
Published in Journal of computational chemistry (01.05.2005)
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Journal Article
Molecular Dynamics Simulations of a Reversibly Folding β-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions
Reif, Maria M, Kräutler, Vincent, Kastenholz, Mika A, Daura, Xavier, Hünenberger, Philippe H
Published in The journal of physical chemistry. B (12.03.2009)
Published in The journal of physical chemistry. B (12.03.2009)
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Journal Article
A Photoinducible β-Hairpin
Aemissegger, Andreas, Kräutler, Vincent, van Gunsteren, Wilfred F, Hilvert, Donald
Published in Journal of the American Chemical Society (09.03.2005)
Published in Journal of the American Chemical Society (09.03.2005)
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Journal Article
A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations
Kräutler, Vincent, Hünenberger, Philippe H.
Published in Journal of computational chemistry (01.08.2006)
Published in Journal of computational chemistry (01.08.2006)
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Journal Article
Use of Molecular Dynamics in the Design and Structure Determination of a Photoinducible β-Hairpin
Kräutler, Vincent, Aemissegger, Andreas, Hünenberger, Philippe H, Hilvert, Donald, Hansson, Tomas, van Gunsteren, Wilfred F
Published in Journal of the American Chemical Society (06.04.2005)
Published in Journal of the American Chemical Society (06.04.2005)
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Journal Article