Center for Biomolecular NMR Data Processing and Analysis

$357,711P41FY2018GMNIH

University Of Connecticut Sch Of Med/Dnt, Farmington CT

Investigators

Linked publications & trials

Paper 39630857 Paper 39605410 Paper 39482969 Paper 39465320 Paper 39270971 Paper 39214936 Paper 39133860 Paper 39087906 Paper 39068213 Paper 39035014 Paper 39014105 Paper 38871714 Paper 38816423 Paper 38798368 Paper 38746386 Paper 38664397 Paper 38511503 Paper 38460939 Paper 38440753 Paper 38438058 Paper 38273718 Paper 38072060 Paper 38027335 Paper 38001280 Paper 37956700 Paper 37924862 Paper 37878721 Paper 37858532 Paper 37695919 Paper 37548612 Paper 37493866 Paper 37377445 Paper 37260088 Paper 37146525 Paper 37127541 Paper 37097985 Paper 36827855 Paper 36801935 Paper 36609407 Paper 36524526 Paper 36459916 Paper 36309626 Paper 36200982 Paper 36180044 Paper 36136729 Paper 35893244 Paper 35780910 Paper 35771940 Paper 35762418 Paper 35597280 Paper 35551273 Paper 35359247 Paper 35231399 Paper 35217001 Paper 35192840 Paper 35182602 Paper 35181664 Paper 35137487 Paper 35137185 Paper 35077748 Paper 34985791 Paper 34971705 Paper 34913841 Paper 34847746 Paper 34792756 Paper 34633815 Paper 34446566 Paper 34436333 Paper 34424128 Paper 34096457 Paper 33803479 Paper 33767737 Paper 33706222 Paper 33437851 Paper 33420032 Paper 33279577 Paper 33177698 Paper 33109619 Paper 33097771 Paper 32999060 Paper 32995764 Paper 32968014 Paper 32938771 Paper 32620933 Paper 32446802 Paper 32102223 Paper 32081587 Paper 32015551 Paper 31999444 Paper 31951863 Paper 31603583 Paper 31463858 Paper 31407200 Paper 31387347 Paper 31362904 Paper 31358628 Paper 31171716 Paper 31165321 Paper 31113879 Paper 31061674

Abstract

DESCRIPTION (provided by the applicant): Computation plays a critical role in biomolecular applications of nuclear magnetic resonance spectroscopy (NMR), such as structural biology, metabolic studies, disease diagnosis, and drug discovery. Powerful software packages from a variety of sources facilitate computation in bio NMR, but challenges include the difficulty of disseminating and maintaining a diverse set of software for a diverse set of computer platforms, communication between software packages, and the lack of persistence of software. The aim of this proposal is to establish a national Center for NMR Data Processing and Analysis that will simplify discovery, dissemination, support, and use of a broad range of widely-used NMR software, develop tools for data capture, abstraction, interoperation and workflow management, and provide novel analysis tools, all with the goal of enhancing reproducibility of bio-NMR studies. An archive of the software platform will ensure persistence that is essential for reproducible research. The Center will establish a publically accessible website for discovery, evaluation, and access to a diverse set of NMR software. In addition to a single, unified downloadable package, all the resources will be made available as a cloud-based platform. Three technology research and development components encompass the computing platform, data, and analytic resources for bio-NMR to be developed by the proposed Center. By facilitating the deployment, utilization, interoperation, and persistence of advanced software for biomolecular NMR, the proposed resource will advance the application of biomolecular NMR for a wide range of challenging applications in biomedicine, and help ensure the reproducibility of bio-NMR studies. An extensive array of collaborations will provide specific challenges as exemplars of biomedical applications of NMR and drive the technology development.

View original record on NIH RePORTER →