The goal of this project is to produce an innovative and effective user-interface for computational research in structural molecular biology. Through an interdisciplinary collaboration in the fields of molecular modeling, auto-fabrication, and augmented reality we will create tangible molecular models to provide an intuitive and effective link between the scientist and the computer. We will test the utility of this interface for research and collaborative activities. The following activities will be undertaken: 1. A software environment will be created to allow design and specification of flexible multi-resolution tangible molecular models that embody relevant physico-chemical characteristics. 2. Tangible molecular models will be automatically fabricated from such specifications using advanced CAD/CAM algorithms and software coupled to layered fabrication technologies. 3. Manipulation of and interaction with the tangible models will be integrated with the computational molecular biological environment by tracking and registration of the physical and virtual molecular models using augmented reality technology. Multi-modal interactive data output will be generated to facilitate research and collaboration. 4. A visiting researcher program will be implemented. A Mini-project"""""""" approach will test the software and hardware for utility and usability as well as foster progress in molecular biological research. With the prevalence of structural and genomic data, molecular biology has become a human-guided, computer-assisted endeavor. The computer assists the essential human function in two ways: in exploration of scientific data, searching for and testing scientific hypotheses; and in collaboration between two or more scientists, to share knowledge and expertise. As databases grow, as structure and process models become more complex, and as software approaches become more diverse, access and manipulation of digital information is increasingly a critical issue for research in molecular biology. An effective computer interface to molecular biology will facilitate research in drug design, protein engineering, and fundamental research into life's molecular machinery.
