VIBE: A virtual biomolecular environment for interactive molecular modeling

Journal Article · Tue Dec 31 04:00:00 EST 1996 · Computers and Chemistry

DOI:https://doi.org/10.1016/0097-8485(96)00009-5· OSTI ID:602612

Cruz-Neira, C ^[1]; Langley, R ^[2]; Bash, P A ^[3]

---

1. Univ. of Illinois, Chicago, IL (United States)
2. Florida State Univ., Tallahassee, FL (United States)
3. 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 Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 602612
• Journal Information: Computers and Chemistry, Journal Name: Computers and Chemistry Journal Issue: 4 Vol. 20; ISSN COCHDK; ISSN 0097-8485
• Country of Publication: United Kingdom
• Language: English

Related Subjects

55 BIOLOGY AND MEDICINE
BASIC STUDIES
99 GENERAL AND MISCELLANEOUS
BIOLOGICAL MODELS
CHEMICAL PROPERTIES
COMPUTER CODES
COMPUTER GRAPHICS
COMPUTERIZED SIMULATION
DESIGN
DRUGS
FUNCTIONAL MODELS
MOLECULAR BIOLOGY
MOLECULAR DYNAMICS METHOD
PARALLEL PROCESSING
PERFORMANCE
PHYSICAL PROPERTIES
SUPERCOMPUTERS