Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy [Hardcover]

This volume is the scientific chronicle of the NATO Advanced Research Workshop on Computational Aspects of the Study of Biological Macro? molecules by Nuclear Magnetic Resonance Spectroscopy, which was held June 3-8, 1990 at Il Ciocco, near Barga, Italy. The use of computers in the study of biological macromolecules by NMR spectroscopy is ubiquitous. The applications are diverse, including data col? lection, reduction, and analysis. Furthermore, their use is rapidly evolv? ing, driven by the development of new experimental methods in NMR and molecular biology and by phenomenal increases in computational perfor? mance available at reasonable cost. Computers no longer merely facilitate, but are now absolutely essential in the study of biological macromolecules by NMR, due to the size and complexity of the data sets that are obtained from modern experiments. The Workshop, and this proceedings volume, provide a snapshot of the uses of computers in the NMR of biomolecules. While by no means exhaustive, the picture that emerges illustrates both the? importance and the diversity of their application.1. Without Computers  No Modern NMR.- 2. Parametric Estimation in 1-D, 2-D, and 3-D NMR.- 3. Computational Aspects of Multinuclear NMR Spectroscopy of Proteins at NMRFAM.- 4. Principles of Multidimensional NMR Techniques for Measurement of J Coupling Constants.- 5. Comparision of the NMR and X-Ray Structures of Hirudin.- 6. The Application of the Linear Prediction Principle to NMR Spectroscopy.- 7. NMR Data Processing and Structure Calculations Using Parallel Computers.- 8. Software Approaches for Determination of 3-Dimensional Molecular Structures from Multi-Dimensional NMR.- 9. Applicability and Limitations of Three-Dimensional NMR Spectroscopy for the Study of Proteins in Solution.- 10. The Role of Selective Two-Dimensional NMR Correlation Methods in Supplementing Computer-Supported Multiplet Analysis by MARCO POLO.- 11. Application of Maximum Entropy Methods to NMR Spectralcq