Modeling protein and nucleic acid structures through computer graphics has helped biochemists understand life processes, suggested experiments, and assisted in rational drug design. The UNC-CH computer graphics team has a proven record of building molecular modelling systems in collaboration with biochemists. This team proposes to build advanced molecular graphics systems, with seven specific projects over the five-year period. 1. Continually develop a trailblazer molecular grahics system, a facility with state-of-the-art hardware, and advanced and varied software, where biochemists will continue to come for pioneering work and collaboration on technical development. 2. Exploit and evaluate the scientific potential of Carroll Jonson's ridge-line representation of electron density. 3. Develop a modest-cost molecular graphic configuration, MOLIX, for the working biochemist to have in his laboratory. We will use and develop application software for commercially available hardware and operating system. 4. Develop real-time manipulation capability for space-filling models. 5. Evaluate the scientific potential of multiple visualizations of molecules. 6. Develop real-time techniques for modeling molecular docking. 7. Explore advanced technology for all aspects of the above.
