Our Resource brings state-of-the-art computer graphics techniques into reliable, working research tools designed for biochemists studying macromolecules. The end objective is understanding the structure and function of proteins and nucleic acids, crucial to understanding disease and to designing drugs. Our Resource is the only molecular graphics group composed chiefly of computer scientists, not chemists. As such, we have some special capabilities and facilities. We collaborate closely with biochemists. We maintain a Trailblazer molecular graphics facility, a high- performance hardware-software configuration, continually advancing the state of the art and testing it against real users. We welcome visiting chemists from everywhere and help them use the facility. As a more widely influential service, we develop molecular graphics software to exploit new hardware capabilities and advances in technique. Building a software product takes about three years; so we have it ready about time the new high-powered hardware becomes lab-affordable. We distribute this software to interested users, document it, help the install, fix bugs, and provide telephone support. For the next five years, a main technological and collaborative will be the building and fielding of VIEW, a graphics software """"""""workbench"""""""" at which the chemist can explore molecular structure data in an infinite variety of visualizations, generated impromptu as soon as conceived. The object is to enable new insight. A second main project will be testing new techniques for visualizing volumes, such as electron density maps and the electric fields around molecules. Newly available computer power enables a whole new class of exciting direct visualization techniques, whose scientific significance we are just beginning to assess. Other major activities will be building tools with collaborators doing drug design and de novo protein design, evaluating the suitability of new graphics engines for molecular laboratories, exploring new ways to address the molecular docking problems, continuing work on representing molecular surfaces, fielding our high-function software adapted to low-cost workstations, and developing advanced graphics technology for user molecular interaction.
| Wu, Henry C; Yamankurt, Gokay; Luo, JiaLie et al. (2015) Identification and characterization of two ankyrin-B isoforms in mammalian heart. Cardiovasc Res 107:466-77 |
| Ahmed, Suzanne; Wang, Wei; Mair, Lamar O et al. (2013) Steering acoustically propelled nanowire motors toward cells in a biologically compatible environment using magnetic fields. Langmuir 29:16113-8 |
| Schafer, J; Foest, R; Reuter, S et al. (2012) Laser schlieren deflectometry for temperature analysis of filamentary non-thermal atmospheric pressure plasma. Rev Sci Instrum 83:103506 |
| Phadke, Madhura N; Pinto, Lifford; Alabi, Femi et al. (2012) Exploring Ensemble Visualization. Proc SPIE Int Soc Opt Eng 8294: |
| Caplan, Jeffrey; Niethammer, Marc; Taylor 2nd, Russell M et al. (2011) The power of correlative microscopy: multi-modal, multi-scale, multi-dimensional. Curr Opin Struct Biol 21:686-93 |
| Fronczek, D N; Quammen, C; Wang, H et al. (2011) High accuracy FIONA-AFM hybrid imaging. Ultramicroscopy 111:350-5 |
| Mandal, Sudeep; Serey, Xavier; Erickson, David (2010) Nanomanipulation using silicon photonic crystal resonators. Nano Lett 10:99-104 |
| Feng, David; Kwock, Lester; Lee, Yueh et al. (2010) Matching visual saliency to confidence in plots of uncertain data. IEEE Trans Vis Comput Graph 16:980-9 |
| Quammen, Cory; Taylor 2nd, Russell M (2010) Adapting the ITK Registration Framework to Fit Parametric Image Models. Insight J :1-8 |
| Lai, Bonnie E; Geonnotti, Anthony R; Desoto, Michael G et al. (2010) Semi-solid gels function as physical barriers to human immunodeficiency virus transport in vitro. Antiviral Res 88:143-51 |
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