Structure Computation and Dynamics in Protein NMR

1. Front Matter

   Pages i-xxi

   PDF

2. Computational Methods

   1. Front Matter

      Pages 1-1

      PDF

   2. Aspects of Modeling Biomolecular Structure on the Basis of Spectroscopic or Diffraction Data

      • Wilfred F. van Gunsteren, Alexandre M. J. J. Bonvin, Xavier Daura, Lorna J. Smith

      Pages 3-35

   3. Combined Automated Assignment of NMR Spectra and Calculation of Three-Dimensional Protein Structures

      • Yuan Xu, Catherine H. Schein, Werner Braun

      Pages 37-79

   4. NMR Pulse Sequences and Computational Approaches for Automated Analysis of Sequence-specific Backbone Resonance Assignments of Proteins

      • Gaetano T. Montelione, Carlos B. Rios, G. V. T. Swapna, Diane E. Zimmerman

      Pages 81-130

   5. Calculation of Symmetric Oligomer Structures from NMR Data

      • Seán I. O’Donoghue, Michael Nilges

      Pages 131-161

   6. Hybrid-Hybrid Matrix Method for 3D NOESY-NOESY Data Refinements

      • Elliott K. Gozansky, Varatharasa Thiviyanathan, Nishantha Illangasekare, Bruce A. Luxon, David G. Gorenstein

      Pages 163-199

   7. Conformational Ensemble Calculations: Analysis of Protein and Nucleic Acid NMR Data

      • Anwer Mujeeb, Nikolai B. Ulyanov, Todd M. Billeci, Shauna Farr-Jones, Thomas L. James

      Pages 201-222

   8. Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of NOESY Spectra of Reversibly Forming Ligand-Receptor Complexes Application to Transferred NOESY

      • N. Rama Krishna, Hunter N. B. Moseley

      Pages 223-307

3. Structure and Dynamics

   1. Front Matter

      Pages 309-309

      PDF

   2. Protein Structure and Dynamics from Field-Induced Residual Dipolar Couplings

      • James H. Prestegard, Joel R. Tolman, Hashim M. Al-Hashimi, Michael Andrec

      Pages 311-355

   3. Recent Developments in Studying the Dynamics of Protein Structures from and 15N and 13C Relaxation Time Measurements

      • Jan Engelke, Heinz Rüterjans

      Pages 357-418

   4. Multinuclear Relaxation Dispersion Studies of Protein Hydration

      • Bertil Halle, Vladimir P. Denisov, Kandadai Venu

      Pages 419-484

   5. Hydration Studies of Biological Macromolecules by Intermolecular Water-Solute NOEs

      • Gottfried Otting

      Pages 485-527

4. Back Matter

   Pages 529-554

   PDF

Volume 17 is the second in a special topic series devoted to modern techniques in protein NMR, under the Biological Magnetic Resonance series. Volume 16, with the subtitle Modern Techniques in Protein NMR , is the first in this series. These two volumes present some of the recent, significant advances in the biomolecular NMR field with emphasis on developments during the last five years. We are honored to have brought together in these volume some of the world s foremost experts who have provided broad leadership in advancing this field. Volume 16 contains - vances in two broad categories: I. Large Proteins, Complexes, and Membrane Proteins and II. Pulse Methods. Volume 17 contains major advances in: I. Com- tational Methods and II. Structure and Dynamics. The opening chapter of volume 17 starts with a consideration of some important aspects of modeling from spectroscopic and diffraction data by Wilfred van Gunsteren and his colleagues. The next two chapters deal with combined automated assignments and protein structure determination, an area of intense research in many laboratories since the traditional manual methods are often inadequate or laborious in handling large volumes of NMR data on large proteins. First, Werner Braun and his associates describe their experience with the NOAH/DIAMOD protocol developed in their laboratory.

• magnetic resonance
• molecule
• protein
• proteins
• receptor
• spectra

• University of Alabama at Birmingham, Birmingham

  N. Rama Krishna

• Ohio State University, Columbus

  Lawrence J. Berliner

Dr. N. Rama Krishna is Professor of Biochemistry and Molecular Genetics and the Director of the NMR Core Facility at the University of Alabama at Birmingham. He has previously served as Guest Editor for Volumes 16 (Modern Techniques in Protein NMR, 1998) and Volume 17 (Structure Computation and Dynamics in Protein NMR, 1999). Dr. Lawrence J. Berliner is currently Professor and Chair of the Department of Chemistry and Biochemistry at the University of Denver after retiring from Ohio State University, where he spent a 32-year career in the area of biological magnetic resonance (EPR and NMR). He is the Series Editor for Biological Magnetic Resonance, which he launched in 1979.

Policies and ethics