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

  • Book
  • © 1991

Overview

Editors:
  1. Jeffrey C. Hoch

    1. Rowland Institute for Science, Cambridge, USA

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  2. Flemming M. Poulsen

    1. Carlsberg Laboratory, Copenhagen, Denmark

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    You can also search for this editor in PubMed   Google Scholar

  3. Christina Redfield

    1. University of Oxford, Oxford, England

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Part of the book series: NATO Science Series A: (NSSA, volume 225)

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Table of contents (37 chapters)

  1. Front Matter

    Pages i-x
    Download chapter PDF

  2. Without Computers — No Modern NMR

    • R. R. Ernst
    Pages 1-25

  3. Parametric Estimation in 1-D, 2-D, and 3-D NMR

    • David Cowburn, John Glushka, Frank DiGennaro, Carlos B. Rios
    Pages 27-38

  4. Computational Aspects of Multinuclear NMR Spectroscopy of Proteins at NMRFAM

    • John L. Markley, Prashanth Darba, Jasna Fejzo, Andrzej M. Krezel, Slobodan Macura, Charles W. McNemar et al.
    Pages 39-50

  5. Principles of Multidimensional NMR Techniques for Measurement of J Coupling Constants

    • Ole W. Sørensen
    Pages 51-56

  6. Comparison of the NMR and X-Ray Structures of Hirudin

    • G. Marius Clore, Angela M. Gronenborn
    Pages 57-65

  7. The Application of the Linear Prediction Principle to NMR Spectroscopy

    • H. Gesmar, J. J. Led
    Pages 67-85

  8. NMR Data Processing and Structure Calculations Using Parallel Computers

    • Wayne Boucher, Andrew R. C. Raine, Ernest D. Laue
    Pages 87-103

  9. Software Approaches for Determination of 3-Dimensional Molecular Structures from Multi-Dimensional NMR

    • George C. Levy, Sophia Wang, Pankaj Kumar, Gwang-woo Jeong, Philip N. Borer
    Pages 105-126

  10. Applicability and Limitations of Three-Dimensional NMR Spectroscopy for the Study of Proteins in Solution

    • Rolf Boelens, Christian Griesinger, Lewis E. Kay, Dominique Marion, Erik R. P. Zuiderweg
    Pages 127-150

  11. The Role of Selective Two-Dimensional NMR Correlation Methods in Supplementing Computer-Supported Multiplet Analysis by MARCO POLO

    • Lyndon Emsley, Geoffrey Bodenhausen
    Pages 151-162

  12. Application of Maximum Entropy Methods to NMR Spectra of Proteins

    • M. A. Delsuc, M. Robin, C. Van Heijenoort, C. B. Reisdorf, E. Guittet, J. Y. Lallemand
    Pages 163-174

  13. Pattern Recognition in Two-Dimensional NMR Spectra of Proteins

    • Hans Robert Kalbitzer, Klaus-Peter Neidig, Matthias Geyer, Rainer Saffrich, Michael Lorenz
    Pages 175-190

  14. The Application and Development of Software Tools for the Processing and Analysis of Heteronuclear Multi-Dimensional NMR Data

    • E. T. Olejniczak, H. L. Eaton, E. R. P. Zuiderweg, S. W. Fesik
    Pages 191-198

  15. Distance Geometry in Torsion Angle Space: New Developments and Applications

    • Werner Braun
    Pages 199-208

  16. Structure Determination by NMR: The Modeling of NMR Parameters as Ensemble Averages

    • R. M. Scheek, A. E. Torda, J. Kemmink, W. F. van Gunsteren
    Pages 209-217

  17. Time Averaged Distance Restraints in NMR Based Structural Refinement

    • Andrew E. Torda, Ruud M. Scheek, Wilfred F. van Gunsteren
    Pages 219-225

  18. Analysis of Backbone Dynamics of Interleukin-1β

    • Angela M. Gronenborn, G. Marius Clore
    Pages 227-231

  19. A New Version of DADAS (Distance Analysis in Dihedral Angle Space) and Its Performance

    • Shigeru Endo, Hiroshi Wako, Kuniaki Nagayama, Nobuhiro Gō
    Pages 233-251

  20. An Amateur Looks at Error Analysis in the Determination of Protein Structure by NMR

    • Jeffrey C. Hoch
    Pages 253-267
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Keywords

About this book

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.

Editors and Affiliations

  • Rowland Institute for Science, Cambridge, USA

    Jeffrey C. Hoch

  • Carlsberg Laboratory, Copenhagen, Denmark

    Flemming M. Poulsen

  • University of Oxford, Oxford, England

    Christina Redfield

Bibliographic Information

  • Book Title: Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy

  • Editors: Jeffrey C. Hoch, Flemming M. Poulsen, Christina Redfield

  • Series Title: NATO Science Series A:

  • DOI: https://doi.org/10.1007/978-1-4757-9794-7

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media New York 1991

  • Hardcover ISBN: 978-0-306-44114-1Published: 31 January 1992

  • Softcover ISBN: 978-1-4757-9796-1Published: 18 July 2013

  • eBook ISBN: 978-1-4757-9794-7Published: 21 November 2013

  • Edition Number: 1

  • Number of Pages: X, 464

  • Topics: Nuclear Medicine, Ultrasound, Biochemistry, general, Biotechnology, Analytical Chemistry

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