Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy - NATO Science Series A 1993 edition

Marc Notes: Proceedings of a NATO Advanced Research Workshop on Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy, held June 13-18, 1990 in Il Ciocco, Italy--T.p. verso.; Published in cooperation with NATO Scientific Affairs Division.; Includes bibliographical references and index. 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."Publisher Marketing: 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,

Contributor Bio:  North Atlantic Treaty Organization Dedication. Preface. Acknowledgments. Clifford Geometric Algebras in Multilinear Algebra and Non-Euclidean Geometries.- Geometric algebra Projective Geometries; Affine and other geometries; Affine Geometry of pseudo-euclidean space; Conformal Geometry and the Horosphere; References. Content-Based Information Retrieval by Group Theoretical Methods.- Introduction; Motivating Examples; General Concept; Fault Tolerance.- Applications, Prototypes, and Test Results; Related Work and Future Research; References.- Four Problems in Radar.-Introduction; Radar Fundamentals; Radar Waveforms; Signal Processing; Space-Time Adaptive Processing; Four Problems in Radar; Conclusions. Introduction to Generalized Classical and Quantum Signal and System Theories on Groups and Hypergroups.-Generalized classical signal/system theory on hypergroups; Generalized quantum signal/system theory on hypergroups; Conclusion; References. Lie Groups and Lie Algebras in Robotics.- Introduction -- Rigid Body Motions; Lie Groups; Finite Screw Motions; Mechanical Joints; Invisible Motion and Gripping; Forward Kinematics; Lie Algebra; The Adjoint Representation; The Exponential Map Derivatives of Exponentials; Jacobians; Concluding Remarks; References. Quantum/Classical Interface: a Geometric Approach from the Classical Side.- Introduction Paravector Space as Spacetime; Eigenspinors; Spin; Dirac Equation; Bell's Theorem; Qubits and Entanglement; Conclusions; References. PONS, Reed-Muller Codes, and Group Algebras.- Introduction; Analytic Theory of One-Dimensional PONS (Welti); Shapiro Sequences, Reed-Muller Codes, and Functional Equations; Group Algebras; Reformulation of Classical PONS; Group Algebra of Classical PONS; GroupAlgebra Convolution; Splitting Sequences; Historical Appendix on PONS; References. Clifford Algebras as a Unified Language.- Introduction; Clifford algebras as models of physical spaces; Clifford Algebras as Models of Perceptual Multicolor Spaces; Hypercomplex-Valued invariants of nD multicolor images; Conclusions; Acknowledgments; References. Recent Progress and Applications in Group FFTs.-Introduction; Finite group FFTs; FFTs for compact groups; Noncompact groups; References. Group Filters and Image Processing.- Introduction: Classical Digital Signal Processing; Abelian Group DSP; Nonabelian Groups; Examples; Group Transforms; Group Filters; Line-like Images; Acknowledgments; References. A Geometric Algebra Approach to Some Problems of Robot Vision.- Introduction; Local Analysis of Multi-dimensional Signals; Knowledge Based Neural Computing; Acknowledgments; References. Group Theory in Radar and Signal Processing.- Introduction; How a Radar Works; Representations; Representations and Radar; Ambiguity Functions; The Wide Band Case; References. Geometry of Paravector Space with Applications to Relativistic Physics.- Clifford Algebras in Physics; Paravector Space as Spacetime; Interpretation; Eigenspinors; Maxwell's Equation; Conclusions; References. A Unified Approach to Fourier-Clifford-Prometheus Transforms- Introduction; New construction of classical and multiparametric Prometheus transforms; PONS associated with Abelian groups; Fast Fourier-Prometheus Transforms; Conclusions; Acknowledgments; References. Fast Color Wavelet Transforms.- Introduction; Color images; Color Wavelet-Haar-Prometheus transforms; Edge detection and compression of color images; Conclusion; Acknowledgments; References. Selected Problems; Various Authors.- Transformations of Euclidean Space and Clifford Geometric; Algebra; References; On the Distribution of Kloosterman Sums on Polynomials over Quaternions; References; Harmonic Sliding Analysis Problems; References; Spectral Analysis under Conditions of Uncertainty; A Canonical Basis for Maximal Tori of the Reductive Centrizer of a Nilpotent Element; References; 6 The Quantum Chaos Conjecture References; Four Problems in Radar; Topic Index; Author Index