We propose to acquire and operate an 82 Teraflop/sec Cray XT5 supercomputer, plus associated 1800 terabyte storage system, to be applied by researchers at the University of Chicago and elsewhere to a set of challenging research questions at the frontiers of biomedical research. An aggressive partnership agreement with Cray, Inc., substantial support from the University of Chicago for operations and application support, and an extremely experienced technical staff allows us to propose a system with capabilities unprecedented in academic biomedicine. A set of prominent biomedical research groups will apply the system to: elucidation of the biological function and binding specificity for ion channels and Src tyrosine kinases;large-scale explorations of RNA-protein interactomes, seeking new insights into cellular networks and the function of ribonucleoprotein complexes;millimeter-resolution, whole-body model for studies of electrical and thermal injury, to derive new insights into the most effective clinical management of major electrical trauma;characterization of transcriptional regulatory networks of pathogenic organisms;quantitatively predictive simulation of ion channel function, and the design of channels with new properties;high-throughput methods for identifying novel microRNA-related targets for cancer therapy;many-to-many mappings of brain structure to human behaviors, to obtain new hypotheses about recovery from neurology injury, and treatment options;development of image-based biomarkers for various disease states including breast, lung, colon, and prostate cancers, and cardiac disease;the identification of genetic signatures for a wide array of inherited disorders;and large-scale text mining for both clinical discovery and characterization of knowledge creation and propagation in scientific communities. In addition to providing direct support for the NIH-funded research programs of its primary users, the Cray supercomputer will also spur development and dissemination of new computational methods, and help train and inspire young investigators, postdocs, and students in the use of those methods for basic, translational, and clinical research. The Cray system uses innovative cooling and reduces power needs significantly. The acquisition and application of this system will provide employment at Cray, the University of Chicago, and other institutions, and will spark new biomedical supercomputing applications.

Public Health Relevance

We propose to acquire and operate a 82 Teraflop/sec Cray XT5 supercomputer, plus an associated 1800 terabyte storage system, to be applied by researchers at the University of Chicago and elsewhere to a set of challenging research questions at the frontiers of biomedical research and with promising public health benefits. An aggressive partnership agreement with Cray, Inc., substantial support from the University of Chicago for operations and application support, and an extremely experienced technical staff allows us to propose a system with capabilities unprecedented in academic biomedicine.

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biomedical Research Support Shared Instrumentation Grants (S10)
Project #
1S10RR029030-01
Application #
7840313
Study Section
Special Emphasis Panel (ZRG1-BST-M (30))
Program Officer
Levy, Abraham
Project Start
2010-09-14
Project End
2011-09-13
Budget Start
2010-09-14
Budget End
2011-09-13
Support Year
1
Fiscal Year
2010
Total Cost
$6,967,431
Indirect Cost
Name
University of Chicago
Department
Type
Other Domestic Higher Education
DUNS #
005421136
City
Chicago
State
IL
Country
United States
Zip Code
60637
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Meng, Yilin; Gao, Cen; Clawson, David K et al. (2018) Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models. J Chem Theory Comput 14:2721-2732
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Meng, Yilin; Pond, Matthew P; Roux, Benoît (2017) Tyrosine Kinase Activation and Conformational Flexibility: Lessons from Src-Family Tyrosine Kinases. Acc Chem Res 50:1193-1201
Haddadian, Esmael J; Zhang, Hao; Freed, Karl F et al. (2017) Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles. Sci Rep 7:41671
Fajer, Mikolai; Meng, Yilin; Roux, Benoît (2017) The Activation of c-Src Tyrosine Kinase: Conformational Transition Pathway and Free Energy Landscape. J Phys Chem B 121:3352-3363
Xu, Yanxun; Trippa, Lorenzo; Müller, Peter et al. (2016) Subgroup-Based Adaptive (SUBA) Designs for Multi-Arm Biomarker Trials. Stat Biosci 8:159-180
Lee, Juhee; Thall, Peter F; Ji, Yuan et al. (2016) A decision-theoretic phase I-II design for ordinal outcomes in two cycles. Biostatistics 17:304-19
Meng, Yilin; Shukla, Diwakar; Pande, Vijay S et al. (2016) Transition path theory analysis of c-Src kinase activation. Proc Natl Acad Sci U S A 113:9193-8

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