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Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy / Edition 1

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Editorial Reviews

Booknews
The scientific part of a workshop at Il Ciocco Italy, June 1990. Presents 37 papers on the use of computers in the NMR spectroscopic study of biological macromolecules. Among the topics are NMR before computers, applying the linear prediction principle, and such computer programs as STELLA, CLAIRE, and MARCO POLO. Annotation c. Book News, Inc., Portland, OR (booknews.com)
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Product Details

  • ISBN-13: 9780306441141
  • Publisher: Springer US
  • Publication date: 10/25/2007
  • Series: Nato Science Series A: (closed) , #225
  • Edition description: 1993
  • Edition number: 1
  • Pages: 464
  • Product dimensions: 10.00 (w) x 7.00 (h) x 1.06 (d)

Table of Contents

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 Spectra of Proteins.- 12. Pattern Recognition in Two-Dimensional NMR Spectra of Proteins.- 13. The Application and Development of Software Tools for the Processing and Analysis of Heteronuclear Multi-Dimensional NMR Data.- 14. Distance Geometry in Torsion Angle Space: New Developments and Applications.- 15. Structure Determination by NMR: The Modeling of NMR Parameters as Ensemble Averages.- 16. Time Averaged Distance Restraints in NMR Based Structural Refinement.- 17. Analysis of Backbone Dynamics of Interleukin-1?.- 18. A New Version of DADAS (Distance Analysis in Dihedral Angle Space) and Its Performance.- 19. An Amateur Looks at Error Analysis in the Determination of Protein Structure by NMR.- 20. Structural Interpretation of NMR Data in the Presence of Motion.- 21. New Interactive and Automatic Algorithms for the Assignment of NMR Spectra.- 22. Outline of a Computer Program for the Analysis of Protein NMR Spectra.- 23. Assignment of the NMR Spectra of Homologous Proteins.- 24. Incorporation of Internal Motion in NMR Refinements Based on NOESY Data.- 25. Refinement of Three-Dimensional Protein and DNA Structures in Solution from NMR Data.- 26. How to Deal with Spin-Diffusion and Internal Mobility in Biomolecules. A Relaxation Matrix Approach.- 27. Interactive Computer Graphics in the Assignment of Protein 2D and 3D NMR Spectra.- 28. Determination of Large Protein Structures from NMR Data: Definition of the Solution Structure of the TRP Repressor.- 29. Interpretation of NMR Data in Terms of Protein Structure: Summary of a Round Table Discussion.- 30. Fast Calculation of the Relaxation Matrix.- 31. NMR Structures of Proteins Using Stereospecific Assignments and Relaxation Matrix Refinement in a Hybrid Method of Distance Geometry and Simulated Annealing.- 32. A Critique of the Interpretation of Nuclear Overhauser Effects of Duplex DNA.- 33. Improvement in Resolution with Nonlinear Methods Applied to NMR Signals from Macromolecules.- 34. STELLA and CLAIRE: A Seraglio of Programs for Human-Aided Assignment of 2D 1H NMR Spectra of Proteins.- 35. MolSkop: Towards NMR Molecular Scope.- 36. Ribonuclease H: Full Assignment of Backbone Proton Resonances with Heteronuclear 3D NMR and Solution Structure.- 37. Sampling Properties of Simulated Annealing and Distance Geometry.- 38. Participants.- 39. Index.
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