Simulation of NMR Experiments

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This award provides funds for the purchase of a computer to be use in the analysis of data generated by Nuclear Magnetic Resonance (NMR) spectrometry in the study of the structure of proteins in solution. Determination of the three dimensional structure of biopolymers such as proteins and nucleic acids, and its relationship to the biological function of the polymers, is a central problem in modern biology. Many investigators now see the use of NMR as a highly promising approach to studies of the native structure of a variety of biomolecules. However, further refinement of experimental techniques and the analytical tools needed for interpretation of the spectroscopic data is central to progress in the application of this powerful approach. Crucial to this has been the development of advanced, high frequency NMR spectrometers and the availability of powerful, relatively inexpensive computers able to handle the extensive and complex calculations that are needed for the interpretation task.