Skip to main content

2009 | OriginalPaper | Buchkapitel

11. Interactive Molecular Visualisation at the Interface

verfasst von : Francis T. Marchese

Erschienen in: Trends in Interactive Visualization

Verlag: Springer London

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract:

Physical and computer models of molecules are designed to embody chemical knowledge of the molecular world. Over the past forty years interactive molecular visualization software has transformed the way chemical scientists build and use molecular models. This chapter surveys interactive molecular visualization from the point of view of the molecular model, showing the convergence of its visual, haptic, and tangible instantiations, and their use to represent chemical structure and dynamics.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Literatur
1.
Zurück zum Zitat Anderson A, Weng Z (1999) VRDD: applying virtual reality visualization to protein docking and design. J Mol Graph Model 17(3–4): 180–186, 217.CrossRef Anderson A, Weng Z (1999) VRDD: applying virtual reality visualization to protein docking and design. J Mol Graph Model 17(3–4): 180–186, 217.CrossRef
2.
Zurück zum Zitat Bailey M, Schulten K, Johnson JE (1998) The use of solid physical models for the study of macromolecular assembly. Curr Opin Struc Biol 8: 202–208.CrossRef Bailey M, Schulten K, Johnson JE (1998) The use of solid physical models for the study of macromolecular assembly. Curr Opin Struc Biol 8: 202–208.CrossRef
3.
Zurück zum Zitat Bayazit OB, Song G, Amato NM(2001) Ligand binding with OBPRM and haptic user input. In: Proceedings of the 2001 IEEE international conference on robotics and automation (ICRA’01), pp. 954-959. Bayazit OB, Song G, Amato NM(2001) Ligand binding with OBPRM and haptic user input. In: Proceedings of the 2001 IEEE international conference on robotics and automation (ICRA’01), pp. 954-959.
4.
Zurück zum Zitat Bidmon K, Reina G, Bos F, Pleiss J, Ertl T (2007) Time-based haptic analysis of protein dynamics. In: Proceedings of the second joint eurohaptics conference and symposium on haptic interfaces for virtual environment and teleoperator systems. IEEE Computer Society, Washington, DC, pp. 537–542.CrossRef Bidmon K, Reina G, Bos F, Pleiss J, Ertl T (2007) Time-based haptic analysis of protein dynamics. In: Proceedings of the second joint eurohaptics conference and symposium on haptic interfaces for virtual environment and teleoperator systems. IEEE Computer Society, Washington, DC, pp. 537–542.CrossRef
5.
Zurück zum Zitat Black G, Daily J, Didier B, Elsethagen T, Feller D, Gracio D, Hackler M, Havre S, Jones D, Jurrus E, Keller T, Lansing C, Matsumoto S, Palmer B, Peterson M, Schuchardt K, Stephan E, Sun L, Swanson K, Taylor H, Thomas G, Vorpagel E, Windus T, Winters C (2006) ECCE, a problem solving environment for computational chemistry. Pacific Northwest National Laboratory, Richland, Washington, DC. Black G, Daily J, Didier B, Elsethagen T, Feller D, Gracio D, Hackler M, Havre S, Jones D, Jurrus E, Keller T, Lansing C, Matsumoto S, Palmer B, Peterson M, Schuchardt K, Stephan E, Sun L, Swanson K, Taylor H, Thomas G, Vorpagel E, Windus T, Winters C (2006) ECCE, a problem solving environment for computational chemistry. Pacific Northwest National Laboratory, Richland, Washington, DC.
6.
Zurück zum Zitat Bourne PE, Gribskov M, Johnson G, Moreland J, Weissig H(1998) A prototype molecular interactive collaborative environment (MICE). In: Altman R, Dunker K, Hunter L, Klein T (eds) Pac symp biocomput, pp. 118-129. Bourne PE, Gribskov M, Johnson G, Moreland J, Weissig H(1998) A prototype molecular interactive collaborative environment (MICE). In: Altman R, Dunker K, Hunter L, Klein T (eds) Pac symp biocomput, pp. 118-129.
7.
Zurück zum Zitat Brooks FP, Ouh-Young M, Batter JJ, Kilpatrick PJ (1990) Project GROPE: Haptic displays for scientific visualization. In: Proceedings of the 17th annual conference on computer graphics and interactive techniques, Dallas, TX. SIGGRAPH’90. ACM Press, New York, pp. 177–185. Brooks FP, Ouh-Young M, Batter JJ, Kilpatrick PJ (1990) Project GROPE: Haptic displays for scientific visualization. In: Proceedings of the 17th annual conference on computer graphics and interactive techniques, Dallas, TX. SIGGRAPH’90. ACM Press, New York, pp. 177–185.
8.
Zurück zum Zitat de Chadarevian S (2004) Models and the making of molecular biology. In:de ChadarevianS, Hopwood N (eds) Models the third dimension of science. Stanford University Press, California, pp. 339–368. de Chadarevian S (2004) Models and the making of molecular biology. In:de ChadarevianS, Hopwood N (eds) Models the third dimension of science. Stanford University Press, California, pp. 339–368.
9.
Zurück zum Zitat Chastine JW, Zhu Y, Brooks JC, Owen GS, Harrison RW, Weber IT (2005) A collaborative multi-view virtual environment for molecular visualization and modeling. In: Proceedings of the coordinated and multiple views in exploratory visualization (Cmv’05). IEEE Computer Society, Washington, DC, pp. 77–84. Chastine JW, Zhu Y, Brooks JC, Owen GS, Harrison RW, Weber IT (2005) A collaborative multi-view virtual environment for molecular visualization and modeling. In: Proceedings of the coordinated and multiple views in exploratory visualization (Cmv’05). IEEE Computer Society, Washington, DC, pp. 77–84.
10.
Zurück zum Zitat DeLano WL (2002) The PyMOL molecular graphics system. DeLano Scientific, San Carlos, CA. http://www.pymol.org. DeLano WL (2002) The PyMOL molecular graphics system. DeLano Scientific, San Carlos, CA. http://​www.​pymol.​org.​
11.
Zurück zum Zitat Drees RC, Pleiss J, Schmid RD, Roller D (1998) Integrating molecular modeling tools and virtual reality engines: an architecture for a highly immersive molecular modeling (HIMM) environment. In: Proceedings of the computer graphics international 1998. IEEE Computer Society, Washington, DC, pp. 391–392. Drees RC, Pleiss J, Schmid RD, Roller D (1998) Integrating molecular modeling tools and virtual reality engines: an architecture for a highly immersive molecular modeling (HIMM) environment. In: Proceedings of the computer graphics international 1998. IEEE Computer Society, Washington, DC, pp. 391–392.
12.
Zurück zum Zitat Francoeur E (1997) The forgotten tool: the design and use of molecular models. Soc Stud Sci 27: 7–40.CrossRef Francoeur E (1997) The forgotten tool: the design and use of molecular models. Soc Stud Sci 27: 7–40.CrossRef
13.
Zurück zum Zitat Francoeur E, Segal J (2004) From model kits to interactive computer graphics. In: de ChadarevianS, Hopwood N (eds) Models: the third dimension of science. Stanford University Press, California, pp. 409–429. Francoeur E, Segal J (2004) From model kits to interactive computer graphics. In: de ChadarevianS, Hopwood N (eds) Models: the third dimension of science. Stanford University Press, California, pp. 409–429.
14.
Zurück zum Zitat Frohlich DM (1993) The history and future of direct manipulation. Behav Inform Technol 12(6): 315–329.CrossRef Frohlich DM (1993) The history and future of direct manipulation. Behav Inform Technol 12(6): 315–329.CrossRef
15.
Zurück zum Zitat Geshi M, Hoshi T, Fujiwara T (2003) Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation. J Phys Soc Jpn 72(11): 2880–2885.CrossRef Geshi M, Hoshi T, Fujiwara T (2003) Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation. J Phys Soc Jpn 72(11): 2880–2885.CrossRef
16.
Zurück zum Zitat Gilder JR, Raymer M, Doom T (2001) PocketMol – a molecular visualization tool for the Pocket PC. In: 2nd IEEE international symposium on bioinformatics and bioengineering (BIBE’01). IEEE Press, pp. 11–14. Gilder JR, Raymer M, Doom T (2001) PocketMol – a molecular visualization tool for the Pocket PC. In: 2nd IEEE international symposium on bioinformatics and bioengineering (BIBE’01). IEEE Press, pp. 11–14.
17.
Zurück zum Zitat Gillet A, Sanner M, Stoffler D, Goodsell D, Olson A (2004) Augmented reality with tangible auto-fabricated models for molecular biology applications. In: 15th IEEE visualization 2004 (VIS’04), pp. 235–242. Gillet A, Sanner M, Stoffler D, Goodsell D, Olson A (2004) Augmented reality with tangible auto-fabricated models for molecular biology applications. In: 15th IEEE visualization 2004 (VIS’04), pp. 235–242.
18.
Zurück zum Zitat Grayson P, Tajkhorshid E, Schulten K (2003) Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Biophys J 85: 36–48.CrossRef Grayson P, Tajkhorshid E, Schulten K (2003) Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Biophys J 85: 36–48.CrossRef
19.
Zurück zum Zitat Guex N, Peitsch MC (1997) SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling. Electrophoresis 18: 2714–2723.CrossRef Guex N, Peitsch MC (1997) SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling. Electrophoresis 18: 2714–2723.CrossRef
20.
Zurück zum Zitat Jensen F (2007) Introduction to computational chemistry, 2nd edn. John Wiley and Sons, Ltd., Chichester, England. Jensen F (2007) Introduction to computational chemistry, 2nd edn. John Wiley and Sons, Ltd., Chichester, England.
21.
Zurück zum Zitat Herráez A (2006) Biomolecules in the computer: Jmol to the rescue. Biochem Mol Biol Edu 34(4): 255–261.CrossRef Herráez A (2006) Biomolecules in the computer: Jmol to the rescue. Biochem Mol Biol Edu 34(4): 255–261.CrossRef
22.
Zurück zum Zitat Hinchliffe A (2003) Molecular modelling for beginners. John Wiley and Sons, Ltd, Chichester, England. Hinchliffe A (2003) Molecular modelling for beginners. John Wiley and Sons, Ltd, Chichester, England.
23.
Zurück zum Zitat Hoffmann R, Laszlo P (1991) Representation in chemistry. Angew Chem Int Ed (Eng) 30: 1–16.CrossRef Hoffmann R, Laszlo P (1991) Representation in chemistry. Angew Chem Int Ed (Eng) 30: 1–16.CrossRef
24.
Zurück zum Zitat Huang CC, Couch GS, Pettersen EF, Ferrin TE (1996) Chimera: an extensible molecular modeling application constructed using standard components. Pacific symposium biocomputing, p. 724. Huang CC, Couch GS, Pettersen EF, Ferrin TE (1996) Chimera: an extensible molecular modeling application constructed using standard components. Pacific symposium biocomputing, p. 724.
25.
Zurück zum Zitat Humphrey W, Dalke A, Schulten K (1996) VMD – visual molecular dynamics. J Mol Graphics : 1433–38.CrossRef Humphrey W, Dalke A, Schulten K (1996) VMD – visual molecular dynamics. J Mol Graphics : 1433–38.CrossRef
26.
Zurück zum Zitat Ihlenfeldt W-D (1997) Virtual reality in chemistry. J Mol Model 3: 386–402.CrossRef Ihlenfeldt W-D (1997) Virtual reality in chemistry. J Mol Model 3: 386–402.CrossRef
27.
Zurück zum Zitat Izrailev S, Stepaniants S, Isralewitz B, Kosztin D, Lu H, Molnar F, Wriggers W, Schulten K (1998) Steered molecular dynamics. In: DeuflhardP, Hermans J, Leimkuhler B, Mark AE, Reich S, Skeel RD (eds) Computational molecular dynamics: challenges, methods, ideas, vol. 4 of Lecture notes in computational science and engineering. Springer-Verlag, Berlin, pp. 39–65. Izrailev S, Stepaniants S, Isralewitz B, Kosztin D, Lu H, Molnar F, Wriggers W, Schulten K (1998) Steered molecular dynamics. In: DeuflhardP, Hermans J, Leimkuhler B, Mark AE, Reich S, Skeel RD (eds) Computational molecular dynamics: challenges, methods, ideas, vol. 4 of Lecture notes in computational science and engineering. Springer-Verlag, Berlin, pp. 39–65.
28.
Zurück zum Zitat Kadau K, Germann TC, Lomdahl PS (2006) Molecular-Dynamics comes of age: 320 billion atom simulation on BlueGene/L. Int J Mod Phys C 17: 1755–1761.CrossRef Kadau K, Germann TC, Lomdahl PS (2006) Molecular-Dynamics comes of age: 320 billion atom simulation on BlueGene/L. Int J Mod Phys C 17: 1755–1761.CrossRef
29.
Zurück zum Zitat Koutek M, van Hees J, Post FH, Bakker AF (2002) Virtual spring manipulators for particle steering in molecular dynamics on the responsive workbench. In: Stürzlinger W, Müller S (eds) Proceedings of the workshop on virtual environments 2002 (Barcelona, Spain, May 30–31, 2002). ACM International Conference Proceeding Series, vol. 23. Eurographics Association, Aire-la-Ville, Switzerland, 53ff. Koutek M, van Hees J, Post FH, Bakker AF (2002) Virtual spring manipulators for particle steering in molecular dynamics on the responsive workbench. In: Stürzlinger W, Müller S (eds) Proceedings of the workshop on virtual environments 2002 (Barcelona, Spain, May 30–31, 2002). ACM International Conference Proceeding Series, vol. 23. Eurographics Association, Aire-la-Ville, Switzerland, 53ff.
30.
Zurück zum Zitat Krueger W, Froehlich B (1994) The responsive workbench. IEEE Comput Graph 14(3): 12–15.CrossRef Krueger W, Froehlich B (1994) The responsive workbench. IEEE Comput Graph 14(3): 12–15.CrossRef
31.
Zurück zum Zitat Lai-Yuen SK, Lee Y (2006) Interactive computer-aided design for molecular docking and assembly. Comput-Aided Des App 3(6): 701–709. Lai-Yuen SK, Lee Y (2006) Interactive computer-aided design for molecular docking and assembly. Comput-Aided Des App 3(6): 701–709.
32.
Zurück zum Zitat Leach A (2001) Molecular modeling: Principles and applications, 2nd edn. Prentice-Hall, New Jersey. Leach A (2001) Molecular modeling: Principles and applications, 2nd edn. Prentice-Hall, New Jersey.
33.
Zurück zum Zitat Leech J, Prins JF, Hermans J (1996) SMD: visual steering of molecular dynamics for protein design. IEEE Comput Sci Eng 3(4): 38–45.CrossRef Leech J, Prins JF, Hermans J (1996) SMD: visual steering of molecular dynamics for protein design. IEEE Comput Sci Eng 3(4): 38–45.CrossRef
34.
Zurück zum Zitat Levine D, Facello M, Hallstrom P, Reeder G, Walenz B, Stevens F (1997) Stalk: an interactive system for virtual molecular docking. IEEE Comput Sci Eng 4(2): 55–65.CrossRef Levine D, Facello M, Hallstrom P, Reeder G, Walenz B, Stevens F (1997) Stalk: an interactive system for virtual molecular docking. IEEE Comput Sci Eng 4(2): 55–65.CrossRef
35.
Zurück zum Zitat Levinthal C (1966) Molecular model-building by computer. Sci Am 214(6): 42–52.CrossRef Levinthal C (1966) Molecular model-building by computer. Sci Am 214(6): 42–52.CrossRef
36.
Zurück zum Zitat Lu T, Ding JH, Crivelli SN (2005) DockingShop: a tool for inter-active protein docking. In: IEEE computational systems bioinformatics conference – workshops (CSBW’05), pp. 271–272. Lu T, Ding JH, Crivelli SN (2005) DockingShop: a tool for inter-active protein docking. In: IEEE computational systems bioinformatics conference – workshops (CSBW’05), pp. 271–272.
37.
Zurück zum Zitat Luo Y, Guo P, Hasegawa S, Sato M (2004) An interactive molecular visualization system for education in immersive multi-projection virtual environment. In: Third international conference on image and graphics (ICIG’04). IEEE Computer Society, Washington, DC, pp. 485–488. Luo Y, Guo P, Hasegawa S, Sato M (2004) An interactive molecular visualization system for education in immersive multi-projection virtual environment. In: Third international conference on image and graphics (ICIG’04). IEEE Computer Society, Washington, DC, pp. 485–488.
38.
Zurück zum Zitat Marchese FT (2002) A stereographic table for biomolecular visualization. In: Proceedings of the sixth international conference on information visualization: IV’02. IEEE Computer Society, Washington, DC, pp. 603–607.CrossRef Marchese FT (2002) A stereographic table for biomolecular visualization. In: Proceedings of the sixth international conference on information visualization: IV’02. IEEE Computer Society, Washington, DC, pp. 603–607.CrossRef
39.
Zurück zum Zitat Marchese FT, Mercado J, Pan Y (2003) Adapting single user visualization software for collaborative use. In: Proceedings of the seventh international conference on information visualization: IV’03. IEEE Computer Society, Washington, DC, pp. 252–257. Marchese FT, Mercado J, Pan Y (2003) Adapting single user visualization software for collaborative use. In: Proceedings of the seventh international conference on information visualization: IV’03. IEEE Computer Society, Washington, DC, pp. 252–257.
40.
Zurück zum Zitat Marchese FT, Brajkovska N (2007) Fostering asynchronous collaborative visualization. In: Proceedings of the 11th international conference information visualization: IV’07. IEEE Computer Society, Washington, DC, pp. 185–190. Marchese FT, Brajkovska N (2007) Fostering asynchronous collaborative visualization. In: Proceedings of the 11th international conference information visualization: IV’07. IEEE Computer Society, Washington, DC, pp. 185–190.
41.
Zurück zum Zitat Moritz E, Meyer J (2004) Interactive 3d protein structure visualization using virtual reality. In: Fourth IEEE symposium on bioinformatics and bioengineering (BIBE’04), p. 503. Moritz E, Meyer J (2004) Interactive 3d protein structure visualization using virtual reality. In: Fourth IEEE symposium on bioinformatics and bioengineering (BIBE’04), p. 503.
42.
Zurück zum Zitat Pauling L (1960) The nature of the chemical bond, 3rd edn. Cornell University Press, Ithaca, New York. Pauling L (1960) The nature of the chemical bond, 3rd edn. Cornell University Press, Ithaca, New York.
43.
Zurück zum Zitat Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF Chimera – A visualization system for exploratory research and analysis. J Comp Chem 25(13): 1605–1612.CrossRef Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF Chimera – A visualization system for exploratory research and analysis. J Comp Chem 25(13): 1605–1612.CrossRef
44.
Zurück zum Zitat Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kale L, Schulten K (2005) Scalable molecular dynamics with NAMD. J Comp Chem 26: 1781–1802.CrossRef Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kale L, Schulten K (2005) Scalable molecular dynamics with NAMD. J Comp Chem 26: 1781–1802.CrossRef
45.
Zurück zum Zitat Prytherch D, McLundie M (2002) So what is haptics anyway? Research Issues in Art Design and Media, Spring (2): 1-16. Prytherch D, McLundie M (2002) So what is haptics anyway? Research Issues in Art Design and Media, Spring (2): 1-16.
46.
Zurück zum Zitat Rapaport DC (2006) Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing. Comput Phys Comm 174: 521–529.CrossRefMATHMathSciNet Rapaport DC (2006) Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing. Comput Phys Comm 174: 521–529.CrossRefMATHMathSciNet
47.
Zurück zum Zitat Richardson DC, Richardson JS (1992) The kinemage: a tool for scientific communication. Protein Sci. 1(1): 3–9. Richardson DC, Richardson JS (1992) The kinemage: a tool for scientific communication. Protein Sci. 1(1): 3–9.
48.
Zurück zum Zitat Salisbury K, Conti F, Barbagli F (2004) Haptic rendering: introductory concepts. IEEE Comput Graph 24 (2): 24–32.CrossRef Salisbury K, Conti F, Barbagli F (2004) Haptic rendering: introductory concepts. IEEE Comput Graph 24 (2): 24–32.CrossRef
49.
Zurück zum Zitat Sanbonmatsu KY, Tung CS (2006) Large-scale simulations of the ribosome: a new landmark in computational biology. J Phys Conf Ser 46: 334–342.CrossRefMathSciNet Sanbonmatsu KY, Tung CS (2006) Large-scale simulations of the ribosome: a new landmark in computational biology. J Phys Conf Ser 46: 334–342.CrossRefMathSciNet
50.
Zurück zum Zitat Sanner MF (1999) Python: a programming language for software integration and development. J Mol Graph Model 17: 57–61. Sanner MF (1999) Python: a programming language for software integration and development. J Mol Graph Model 17: 57–61.
51.
Zurück zum Zitat Sharma G, Mavroidis C, Ferreira A (2005) Virtual reality and haptics in nano- and bionanotechnology. In: Rieth M, Schommers W (eds) Handbook of theoretical and computational nanotechnology, vol. X. American Scientific Publishers, Stevenson Ranch, CA pp. 1–33. Sharma G, Mavroidis C, Ferreira A (2005) Virtual reality and haptics in nano- and bionanotechnology. In: Rieth M, Schommers W (eds) Handbook of theoretical and computational nanotechnology, vol. X. American Scientific Publishers, Stevenson Ranch, CA pp. 1–33.
52.
Zurück zum Zitat Sharma R, Huang TS, Pavovic VI, Zhao Y, Lo Z, Chu S, Schulten K, Dalke A, Phillips J, Zeller M, Humphrey W (1996) Speech/Gesture interface to a visual computing environment for molecular biologists. In: 13th International conference on pattern recognition (ICPR’96), p. 964. Sharma R, Huang TS, Pavovic VI, Zhao Y, Lo Z, Chu S, Schulten K, Dalke A, Phillips J, Zeller M, Humphrey W (1996) Speech/Gesture interface to a visual computing environment for molecular biologists. In: 13th International conference on pattern recognition (ICPR’96), p. 964.
53.
Zurück zum Zitat Sotomayor M, Schulten K (2007) Single-molecule experiments in vitro and in silico. Science 316(5828): 1144–1148.CrossRef Sotomayor M, Schulten K (2007) Single-molecule experiments in vitro and in silico. Science 316(5828): 1144–1148.CrossRef
54.
Zurück zum Zitat Stone J, Gullingsrud J, Grayson P, Schulten K (2001) A system for interactive molecular dynamics simulation. In: HughesJF, Séquin CH (eds) ACM symposium on interactive 3d graphics. ACM SIGGRAPH, New York, pp. 191–194.CrossRef Stone J, Gullingsrud J, Grayson P, Schulten K (2001) A system for interactive molecular dynamics simulation. In: HughesJF, Séquin CH (eds) ACM symposium on interactive 3d graphics. ACM SIGGRAPH, New York, pp. 191–194.CrossRef
55.
Zurück zum Zitat Su S, Loftin R, Chen D, Fang Y, Lin CH (2000) Distributed collaborative virtual environment: PaulingWorld. In: Proceedings of 10th international conference on artificial reality and telexistence, pp. 112–117. Su S, Loftin R, Chen D, Fang Y, Lin CH (2000) Distributed collaborative virtual environment: PaulingWorld. In: Proceedings of 10th international conference on artificial reality and telexistence, pp. 112–117.
56.
Zurück zum Zitat Teodoro M, Phillips , Jr, GNKavraki LE (2001) Molecular docking: a problem with thousands of degrees of freedom. In: Proceedings of the 2001 IEEE international conference on robotics and automation (ICRA 2001). IEEE press, Seoul, Korea, pp. 960–966. Teodoro M, Phillips , Jr, GNKavraki LE (2001) Molecular docking: a problem with thousands of degrees of freedom. In: Proceedings of the 2001 IEEE international conference on robotics and automation (ICRA 2001). IEEE press, Seoul, Korea, pp. 960–966.
57.
Zurück zum Zitat Thompson MA (2006) ArgusLab 4.0. Planaria Software LLC, Seattle, http://www.ArgusLab.com. Thompson MA (2006) ArgusLab 4.0. Planaria Software LLC, Seattle, http://​www.​ArgusLab.​com.​
58.
Zurück zum Zitat Ullmer B, Ishii H (2000) Emerging frameworks for tangible user interfaces. IBM Syst 39 (3&4): 915–931.CrossRef Ullmer B, Ishii H (2000) Emerging frameworks for tangible user interfaces. IBM Syst 39 (3&4): 915–931.CrossRef
59.
Zurück zum Zitat Vashishta P, Rajiv KK, Nakano A (2006) Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics. J Phys Chem B 110: 3727–3733.CrossRef Vashishta P, Rajiv KK, Nakano A (2006) Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics. J Phys Chem B 110: 3727–3733.CrossRef
60.
Zurück zum Zitat Watson JD, Crick FHC (1953) Molecular structure of nucleic acids. Nature 171: 737–738.CrossRef Watson JD, Crick FHC (1953) Molecular structure of nucleic acids. Nature 171: 737–738.CrossRef
61.
Zurück zum Zitat Weller MP, Do EY, Gross MD (2008) Posey: Instrumenting a poseable hub and strut toy. In: TEI 2008 – second international conference on tangible and embedded interaction, Bonn, ACM Press, Germany Feb 18–21, to appear. Weller MP, Do EY, Gross MD (2008) Posey: Instrumenting a poseable hub and strut toy. In: TEI 2008 – second international conference on tangible and embedded interaction, Bonn, ACM Press, Germany Feb 18–21, to appear.
62.
Zurück zum Zitat Wollacott AM, Merz KM, Jr (2007) Haptic applications for molecular structure manipulation. J Mol Graph Mod 25: 801–805.CrossRef Wollacott AM, Merz KM, Jr (2007) Haptic applications for molecular structure manipulation. J Mol Graph Mod 25: 801–805.CrossRef
Metadaten
Titel
Interactive Molecular Visualisation at the Interface
verfasst von
Francis T. Marchese
Copyright-Jahr
2009
Verlag
Springer London
DOI
https://doi.org/10.1007/978-1-84800-269-2_11

Premium Partner