SNARE/DECI: SNARE mediated membrane fusion, DEISA Extreme Computing Initiative.
Bond, Krieger, Durrieu, Taib, Leger, Laguerre, Lavery, Sansom & Baaden 2006, 2007.

Latest News (updated 21/9/2011)

  • New and exciting results on the SNARE double membrane system. Writing up. Stay tuned!
  • Fabio Sterpone joined the lab with an ambitious project on membrane fusion modeling
  • Our paper "Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states" is published in ChemPhysChem.
  • A sub-page with videos of the DECI SNARE simulations was added -- note that there is also a YouTube channel at http://www.youtube.com/marcbaaden
  • Related publications were added below
  • A selection of posters was added

Related Publications

  • M.P. Durrieu, P.J. Bond, M.S.P. Sansom, R. Lavery and M. Baaden: "Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states", ChemPhysChem, 10, 2009, 1548-1552.
  • O. Delalande, N. Férey, G. Grasseau and M. Baaden : "Complex Molecular Assemblies at hand via Interactive Simulations", Journal of Computational Chemistry 30, 2009, 2375-2387
  • E. Krieger, L. Leger, M.P. Durrieu, N. Taib, P. Bond, M. Laguerre, R. Lavery, M.S.P. Sansom and M. Baaden: "Atomistic modeling of the membrane-embedded synaptic fusion complex: a grand challenge project on the DEISA HPC infrastructure", 2007, in ParCo 2007, Parallel Computing: Architectures, Algorithms and Applications, edited by C.B.G.R. Joubert, F. Peters, T. Lippert, M. Buecker, B. Gibbon, and B. Mohr, Vol. 38, pp. 729-736, John von Neumann Institute for Computing, Juelich, Germany.
  • M.P. Durrieu, R. Lavery and M. Baaden: "Interactions between neuronal fusion proteins explored by molecular dynamics", Biophys.J.94, 2008, 3436-3446.
  • N. Férey, O. Delalande, G. Grasseau and M. Baaden : "From Interactive to Immersive Molecular Dynamics", 2008, in Proceedings of the International Workshop on Virtual Reality and Physical Simulation (VRIPHYS'08), edited by F. Faure and M. Teschner, pp. 89-96, Eurographics, Grenoble, France.

You can also access my complete list of publications with links to the download locations.

Poster selection

Poster clipping Poster clipping Poster clipping Poster clipping

Related links

Webpage clipping DEISA Newsletter, Vol. 5, 2007: We presented the SNARE use case at the 4th DEISA training session at the Finnish IT center for science CSC.

Webpage clipping SNARE: : Membrane Fusion project of the DEISA Extreme Computing Initiative 2006.

Webpage clipping Multi CPU support in YASARA.

Webpage clipping DEISA Extreme Computing Initiative LIFE SCIENCES leaflet.


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The SNARE/DECI logo is copyright 2007 by Marc Baaden. It is licensed under the creative commons license (see page footer for details).