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Journal of Computational Chemistry|June 2, 2006
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 simulationsVincent Kräutler, Philippe H HünenbergerCarbohydrate Research|June 19, 2007
Conformation, dynamics, solvation and relative stabilities of selected beta-hexopyranoses in water: a molecular dynamics study with the GROMOS 45A4 force fieldVincent Kräutler, Martin Müller, Philippe H HünenbergerEuropean Biophysics Journal : EBJ|March 23, 2010
Residual structure in a peptide fragment of the outer membrane protein X under denaturing conditions: a molecular dynamics studyVincent Kräutler, Sebastian Hiller, Philippe H HünenbergerJournal of the American Chemical Society|March 3, 2005
A photoinducible beta-hairpinAndreas Aemissegger, Vincent Kräutler, Wilfred F van Gunsteren, et al.The Journal of Physical Chemistry. B|February 21, 2009
Molecular dynamics simulations of a reversibly folding beta-heptapeptide in methanol: influence of the treatment of long-range electrostatic interactionsMaria M Reif, Vincent Kräutler, Mika A Kastenholz, et al.Journal of the American Chemical Society|March 31, 2005
Use of molecular dynamics in the design and structure determination of a photoinducible beta-hairpinVincent Kräutler, Andreas Aemissegger, Philippe H Hünenberger, et al.Journal of Computational Chemistry|March 17, 2005
An improved nucleic acid parameter set for the GROMOS force fieldThereza A Soares, Philippe H Hünenberger, Mika A Kastenholz, et al.Journal of Computational Chemistry|October 8, 2005
The GROMOS software for biomolecular simulation: GROMOS05Markus Christen, Philippe H Hünenberger, Dirk Bakowies, et al.Pageof 1