General References

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[BEL09] Bell et al. (2009) Computer science. Beyond the data deluge. Science 323, 1297-8

[BLO09] J. N. Block et al (2009) KinImmerse: Macromolecular VR for NMR ensembles. Source code for biology and medicine 4, 3.

[BOH02] J. Bohannon (2002) Bioinformatics. The human genome in 3D, at your fingertips. Science 298, 737

[BRO08] D.H. Brouwer (2008) NMR crystallography of zeolites: Refinement of an NMR-solved crystal structure using ab initio calculations of 29Si chemical shift tensors, J Am Chem Soc 130, 6306-6307.

[CHI10] Childs et al. (2010) Extreme Scaling of Production Visualization Software on Diverse Architectures. Computer Graphics and Applications, IEEE 30, 22 – 31


[DES06] Desmeulles et al. (2006) The virtual reality applied to biology understanding: The in virtuo experimentation, Expert Systems with Applications, 30, 82-92.

[DOE07] U.S. department of energy (2007) Catalysis for energy. Report --

[EXA10] Wolf et Pieper (2010) Biology and Medical Research at the Exascale, SciDAC review – special issue (

[EXA11a] International Exascale Software Project (IESP) --

[EXA11b] Dongarra et al. (2011) The International Exascale Software Project roadmap. Int J High Perf Comput Applications 25, 3-60


[FOX11] Fox et Hendler (2011) Changing the equation on scientific data visualization. Science 331, 705-8

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[HAA02] de Haan et Post (2002) Towards Intuitive Exploration Tools for Data Visualisation in VR. Proc. ACM VRST’02

[HAC08] Hachet, Decle, Knodel, Guitton (2008) Navidget for Easy 3D Camera Positioning from 2D Inputs, 3D User Interfaces.

[HED04] N. Hedin, R. Graf, S.C. Christiansen, C. Gervais, R.C. Hayward, J. Eckert and B.F. Chmelka (2004) Structure of a surfactant-templated silicate framework in the absence of 3D crystallinity, J. Am. Chem. Soc. 126, 9425-9432.

[KEI10] Keim et al. (2010) Solving Problems with Visual Analytics.

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[KOL08] Kolatkar et al. (2008) C-ME: A 3D Community-Based, Real-Time Collaboration Tool for Scientific Research and Training. PLoS ONE 3, e1621. doi:10.1371/journal.pone.0001621

[MEGAMOL] MegaMol, a visualization middleware used to visualize point-based molecular datasets --

[MOR04] Moritz et Meyer (2004) Interactive 3D protein structure visualization using virtual reality. Fourth IEEE Symposium on Bioinformatics and Bioengineering (BIBE) 2004, 503 – 507


[NAM88] Namba et al. (1988) Enhancement and simplification of macromolecular images. Biophys J 53, 469-75

[ODO10] O'Donoghue et al. (2010) Visualizing biological data-now and in the future. Nat Methods 7, S2-4

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[PIC01] Pickard et Mauri (2001) All-electron magnetic response with pseudopotentials: NMR chemical shifts, Phys Rev B 63, 245101

[ROB09] Robertson et al. (2009) Scale and complexity in visual analytics. Information Visualization 8, 247-253

[THI10] Thibodeau (2010) Supercomputer contest hits new level. Computerworld --

[VES06] Veshtort et Griffin (2006) SPINEVOLUTION: A powerful tool for the simulation of solid and liquid state NMR experiments. J Magn Reson 178, 248-282


[YAN05] Yang et al. (2005) Integration of metabolic networks and gene expression in virtual reality, Bioinformatics 21, 3645-3650

[YU10] Yu et al. (2010) In situ visualization for large-scale combustion simulations. IEEE Comput Graph Appl 30, 45-57

[WAR10] M. O. Ward, G Grinstein, D. A. Keim (2010). Interactive Data Visualization: Foundations, Techniques, and Applications (2010). ISBN: 978-1-56881-473-5, A. K. Peters Ltd.


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