Proceedings Article10.1109/BIBE.2004.1317384
Interactive 3D protein structure visualization using virtual reality
Elke Moritz,Joerg Meyer +1 more
- 19 May 2004
- pp 503-507
28
TL;DR: A case study that uses high performance workstations and a virtual reality display system to process large amounts of geometry data for real-time 3D exploration, superimposition, and interactive navigational tasks in avirtual reality environment.
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Abstract: Large-scale biomedical data sets of macromolecular structures such as DNA and proteins describe highly complex biomolecular entities which often consist of thousands of atoms and residues in large 3D strands of amino acids. Various types of abstract representations are used to display these data sets, ranging from traditional ball-and-stick models to feature-presenting cartoon models. Despite these abstractions, even the most simplified representations still generate a large amount of geometry data. Useful features are often difficult to recognize in the sheer amount of detail produced by the rendering software. Comparative visualization of various structures in any type of abstract representation is helpful for understanding the relation between function and structure, and prediction of properties of newly discovered proteins which might have an impact on drug design and better treatment options for diseases. We present a case study that uses high performance workstations and a virtual reality display system to process large amounts of geometry data for real-time 3D exploration, superimposition, and interactive navigational tasks in a virtual reality environment.
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Citations
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework.
Michael B. O'Connor,Simon J. Bennie,Helen M. Deeks,Alexander Jamieson-Binnie,Alex J. Jones,Robin J. Shannon,Rebecca K. Walters,Thomas J. Mitchell,Adrian J. Mulholland,David R. Glowacki +9 more
TL;DR: Various efforts to extend immersive technologies to the molecular sciences are outlined, and "Narupa," a flexible, open-source, multiperson iMD-VR software framework which enables groups of researchers to simultaneously cohabit real-time simulation environments to interactively visualize and manipulate the dynamics of molecular structures with atomic-level precision is introduced.
Molecular Visualization on the Holodeck
Thomas D. Goddard,Alan A. Brilliant,Thomas L. Skillman,Steven Vergenz,James Tyrwhitt-Drake,Elaine C. Meng,Thomas E. Ferrin +6 more
TL;DR: Advantages and disadvantages of VR for molecular biology in the context of affordable and dramatically more powerful VR and graphics hardware than has been available in the past are surveyed.
94
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
Michael B. O'Connor,Simon J. Bennie,Helen M. Deeks,Alexander Jamieson-Binnie,Alex J. Jones,Robin J. Shannon,Rebecca K. Walters,Thomas J. Mitchell,Adrian J. Mulholland,David R. Glowacki +9 more
TL;DR: Narupa as mentioned in this paper is a flexible, open-source, multi-person iMD-VR software framework which enables groups of researchers to simultaneously cohabit real-time simulation environments to interactively visualize and manipulate the dynamics of molecular structures with atomic-level precision.
Immersive Analytics
Cmpm 290A,Caitlyn Meeks +1 more
TL;DR: The aims of immersive analytics research are clarified, its opportunities and historical context are reviewed, and how the term immersion has been used to refer to both technological and psychological immersion are reviewed.
42
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality.
TL;DR: By means of two case studies on organometallic complexes, it is shown how familiar concepts in coordination chemistry, such as donation and back‐donation charge flows, can be effectively identified and quantified to predict experimental observables.
37
References
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The Protein Data Bank
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Carolina Cruz-Neira,Daniel J. Sandin,Thomas A. DeFanti +2 more
- 01 Sep 1993
TL;DR: This paper demonstrates that projection technology applied to virtual-reality goals achieves a system that matches the quality of workstation screens in terms of resolution, color, and flicker-free stereo, and demonstrates that this format helps reduce the effect of common tracking and system latency errors.
2.7K