The Center has also developed BioCoRE, a collaborative environment for biomedical research that offers job
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Development pursuits also include creating software to facilitate Molecular Dynamics Flexible Fitting (MDFF), a method to flexibly fit atomic structures into density maps, and the Lattice Microbe software package for efficiently sampling trajectories during hig-performance computing. The Center also investigates GPU computing for acceleration of molecular modeling applications, harnessing the acceleration of GPU's for numerically intensive scientific applications such as molecular modeling. Scaling to hundreds or thousands of processors, allowing for large scale
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The highly regarded NAMD software program is anĪward-winning parallel molecular dynamics simulator that is capable of The Center's VMD software program is a high-performance, cross-platform molecular graphics viewer, used for (among other tasks) displaying staticĪnd dynamic structures, viewing sequence information, and for structure Supporting collaborative work throughout the research process. To visualization of the molecular apparatus in biological cells, to That facilitates the discovery process from analysis, through modeling, Our technological efforts focus on the development of efficient software With research tools via a common infrastructure and across distance. Visualize information, share resources and interact with each other and (force feedback) interface, integrated with the TCBG's visualizationĭynamics (IMD) within the group's collaborative environment BioCoRE. Where biomolecular aggregates are discovered and measured.
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Is freely available (source code and binaries) to laboratories The software supports rational drug design and Through modeling, to visualization of the molecular apparatus inīiological cells. Software that facilitates the discovery process from analysis, Our technological efforts focus on the development of efficient Utilizes numerical experiments, non-equilibrium statistical mechanics,Įlasticity theory, and the theory of disordered systems. Theory of the classical and quantum dynamical motion of biopolymers which The synthesis of ATP in photosynthetic systems, as well as the storageĪnd control of genetic information in living cells. Transformation of light energy into electrical membrane potentials and In universities, research institutions and industry across the U.S.Īnd around the world - explore the physical mechanisms underlying the Our investigations - in collaboration with experimental laboratories Molecular graphics and integrated modeling technologies.
We magnify the impact of our work through direct collaboration We extend, refine and deliver these technologies in response toĮxperimental progress and emerging needs of the wide biomedical researchĬommunity. The TCBG brings the most advanced molecular modeling, bioinformatics,Īnd computational technologies to bear on questions of biomedical Research and development activities of the TCBG focus on structure and function of supramolecular systems in the living cell,Īs well as on the development of new algorithms and efficient computing tools for physical biology. The group is led by Professor Klaus Schulten University of Illinois at Urbana-Champaign (UIUC). Was founded by Professor Klaus Schulten in 1989 and is located at the NIH Center for Macromolecular Modeling and Bioinformatics, The Theoretical and Computational Biophysics Group (TCBG),