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On the transferability of the SPCAL water model to biomolecular simulation
(2004)Brazilian journal of physicsJournal Article -
Biomolecular modeling: Goals, problems, perspectives
(2006)Angewandte Chemie. International EditionReview Article -
Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations
(2001)Journal of Biomolecular NMRJournal Article -
Exploring the conserved water site and hydration of a coiled-coil trimerisation motif
(2008)ChemBioChemJournal Article -
A consistent potential energy parameter set for lipids
(2003)European Biophysics JournalJournal Article -
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Interpreting experimental data by using molecular simulation instead of model building
(2009)Chemistry - A European JournalJournal Article -
Relative stability of homochiral and heterochiral dialanine peptides. Effects of perturbation pathways and force-field parameters on free energy calculations
(2005)Molecular PhysicsJournal Article -
Computer simulation of urea-water mixtures
(2004)The Journal of Physical Chemistry BJournal Article -
Simulation of the Substrate Cavity Dynamics of Quercetinase
(2004)Journal of Molecular BiologyJournal Article