Chapter 10. Structure Determination by NMR Spectroscopy

  1. Dr. David E. Clark
  1. Bryan C. Sanctuary

Published Online: 4 MAR 2008

DOI: 10.1002/9783527613168.ch10

Evolutionary Algorithms in Molecular Design

Evolutionary Algorithms in Molecular Design

How to Cite

Sanctuary, B. C. (2000) Structure Determination by NMR Spectroscopy, in Evolutionary Algorithms in Molecular Design (ed D. E. Clark), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527613168.ch10

Editor Information

  1. Computer-Aided Drug Design, Aventis Pharma Ltd., Dagenham Research Centre, Rainham Road South, Dagenham, Essex RM10 7XS, United Kingdom

Publication History

  1. Published Online: 4 MAR 2008
  2. Published Print: 27 JUL 2000

ISBN Information

Print ISBN: 9783527301553

Online ISBN: 9783527613168

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Keywords:

  • energy;
  • variables;
  • rotation angles;
  • parameters;
  • mutation operations

Summary

This chapter contains sections titled:

  • Introduction

  • Protein Structure Determination from NMR Data

  • Summary of Manual Assignment Strategy

  • Automated Sequential Assignment in NMR Spectroscopy

  • Protein Structure Optimization

  • NMR Spectral Parameter Estimation from Time Domain Data

  • NMR Pulse Shapes

  • Summary