The NMR Resource provides instrumentation and software for acquiring and processing nuclear magnetic resonance (NMR) spectra, molecular modeling and three-dimensional biomolecular analysis, and acquiring and processing NMR data of biofluids (metabonomics). Two high-resolution NMR spectrometers (Bruker AMX-400 and AMX-600) operating at 400 and 600 MHz are available to qualified RPCI personnel 24 hours per day, seven days a week. For more occasional users, or for pilot programs developing and determining the potential utility of NMR techniques, NMR Resource personnel may perform all aspects of NMR sample acquisition, processing and data interpretation. Molecular modeling and three-dimensional biomolecular analysis occur as an extension of interpretation of the NMR data, or independent of pre-existing NMR data. In this latter case, computational studies are performed to predict biomolecular structures. The NMR Resource has five SGI and one SUN UNIX based workstations. Working with the RPCI Department of Information Technology, the NMR Resource has developed the capability of Internet access of NMR Resource data and has personal computers and software for processing NMR data within the NMR Resource or anywhere offsite. The capability exists for clients to run UNIX workstation-based NMR or modeling sottware on remotely located PCs. For client convenience, the NMR Resource also provides Intemet access of sign-up schedules for various instruments. The NMR Resource was used by 11 investigators with peer-reviewed funding during the twelve-month reporting period for this application and has contributed to 46 publications since 1999. It is anticipated that the use of this Resource will increase with the arrival of new recruits. The Resource is publicized through special seminars and meetings with CCSG Program Leaders and members.
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