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Philippe H. Hünenberger
2010 – today
- 2012
[j10]Anna-Pitschna E. Kunz, Jane R. Allison, Daan P. Geerke, Bruno A. C. Horta, Philippe H. Hünenberger, Sereina Riniker, Nathan Schmid, Wilfred F. van Gunsteren: New functionalities in the GROMOS biomolecular simulation software. Journal of Computational Chemistry 33(3): 340-353 (2012)- [j9]Bruno A. C. Horta, Zhixiong Lin, Wei Huang, Sereina Riniker, Wilfred F. van Gunsteren, Philippe H. Hünenberger: Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol. Journal of Computational Chemistry 33(24): 1907-1917 (2012)
- 2011
- [j8]Halvor S. Hansen, Philippe H. Hünenberger: A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers. Journal of Computational Chemistry 32(6): 998-1032 (2011)
- 2010
- [j7]Halvor S. Hansen, Philippe H. Hünenberger: Using the local elevation method to construct optimized umbrella sampling potentials: Calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water. Journal of Computational Chemistry 31(1): 1-23 (2010)
2000 – 2009
- 2006
- [j6]Vincent Kräutler, Philippe H. Hünenberger: 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. Journal of Computational Chemistry 27(11): 1163-1176 (2006)
- 2005
- [j5]Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren: An improved nucleic acid parameter set for the GROMOS force field. Journal of Computational Chemistry 26(7): 725-737 (2005)
- [j4]Roberto D. Lins, Philippe H. Hünenberger: A new GROMOS force field for hexopyranose-based carbohydrates. Journal of Computational Chemistry 26(13): 1400-1412 (2005)
- [j3]Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P. Geerke, Tim N. Heinz, Mika A. Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F. van Gunsteren: The GROMOS software for biomolecular simulation: GROMOS05. Journal of Computational Chemistry 26(16): 1719-1751 (2005)
- 2004
- [j2]Tim N. Heinz, Philippe H. Hünenberger: A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions. Journal of Computational Chemistry 25(12): 1474-1486 (2004)
- 2001
- [j1]Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger: A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations. Journal of Computational Chemistry 22(5): 501-508 (2001)
Coauthor Index
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last updated on 2012-10-24 00:40 CEST by the dblp team