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Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics, , and . Physica A: Statistical and Theoretical Physics, 240 (1-2): 305--314 (Jun 1, 1997)Molecular dynamics investigation of an ethanol-water solution, , and . Physica A: Statistical and Theoretical Physics, 231 (1-3): 117--122 (Sep 15, 1996)Computer simulation studies of self-assembling macromolecules, , and . Current Opinion in Structural Biology, 22 (2): 175 - 186 (2012)Theory and simulation/Macromolecular assemblages.Effective interaction between small unilamellar vesicles as probed by coarse-grained molecular dynamics simulations, and . Pure and Applied Chemistry, (05-13T01:48:49.544+02:00 2016 2014)2.Combined computational and experimental analysis of a complex of ribonuclease III and the regulatory macrodomain protein, YmdB, , , , , and . Proteins: Structure, Function, and Bioinformatics, 83 (3): 459--472 (2015)Pore waters regulate ion permeation in a calcium release-activated calcium channel, , , , and . Proceedings of the National Academy of Sciences, 110 (43): 17332-17337 (2013)Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamics, , , and . Soft Matter, 9 (48): 11549-11556 (2013)Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation., , , , and . PLoS Comput. Biol., (2013)Modulation of a voltage-gated Na+ channel by sevoflurane involves multiple sites and distinct mechanisms, , , , and . Proceedings of the National Academy of Sciences, 111 (18): 6726-6731 (2014)Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations, , , and . The Journal of Physical Chemistry Letters, 4 (18): 3067-3071 (2013)PMID: 24069512.