VIBE: A virtual biomolecular environment for interactive molecular modeling
- Univ. of Illinois, Chicago, IL (United States)
- Florida State Univ., Tallahassee, FL (United States)
- Argonne National Lab., IL (United States)
Virtual reality tightly coupled to high performance computing and communications ushers in a new era for the study of molecular recognition and the rational design of pharmaceutical compounds. We have created a Virtual Biomolecular Environment (VIBE), which consists of (1) massively parallel computing to simulate the physical and chemical properties of a molecular system, (2) the Cave Automatic Virtual Environment (CAVE) for immersive display and interaction with the molecular system, and (3) a high-speed network interface to exchange data between the simulation and the CAVE. VIBE enables molecular scientists to have a visual, auditory, and haptic experience with a chemical system, while simultaneously manipulating its physical properties by steering, in real-time, a simulation executed on a supercomputer. We demonstrate the characteristics of VIBE using an HIV protease-cyclic urea inhibitor complex. 22 refs., 4 figs.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 602612
- Journal Information:
- Computers and Chemistry, Vol. 20, Issue 4; Other Information: PBD: 1996
- Country of Publication:
- United Kingdom
- Language:
- English
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BIOLOGICAL MODELS
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