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| NIH | NCRR Modeling/Simulation | Budget Code: | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| As scientists strive to understand increasingly more complex biomedical processes, the computer requirements, both hardware and software, needed to model and simulate these processes increase in performance and complexity. These requirements extend to network capabilities which will be required to carry increasingly more data per unit time. The research resource centers are the focus for NCRR supported simulation/modeling high performance computing activities. Areas of interest include simulations of subjects as small as molecules and as large as the entire body--cells, tissues, organs, and organ systems. In addition are epidemiological models, especially for pressing health problems such as AIDS and cardiovascular disease. |
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| FY 1995 Actual Milestones | FY 1996 Estimated Milestones | FY 1997 Agency Requested Milestones | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Development of new programs specifically tailored for use on massively parallel computer systems to achieve very high performance on large biomolecular systems, such as proteins embedded in lipid membranes.
Created combined transport and metabolism models to understand the dynamics of substances such as oxygen or metabolites in whole organs. Significant progress towards the realization of a safe, reliable hemoglobin-based blood substitute based on simulations of complex NMR data from hemoglobin. Extended the Monte Carlo models to cover even smaller populations such as cells. Began new initiatives in simulation and modeling. |
It is estimated that simulations of large molecular systems in excess of 100,000 atoms will be visualized and interactively controlled through the integration of improved parallel algorithms, faster numerical methods for longer integration steps, and the new generations of massively parallel computers.
Capability to realistically model oxygen transport and metabolism for the whole body. Enhanced Monte Carlo models with the capability to provide dynamic visualization of epidemiological data. Extend initiatives in simulation and modeling. Progress from new initiatives begun in FY 1995. |
Continued simulation of increasingly large molecular systems.
Enhanced models of cells and organs, e.g., Peskin heart model. Increased interaction between NIH and NSF modeling centers via internet. |
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