Structure Computation and Dynamics in Protein NMR

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.

Autorentext

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.

Klappentext

Volume 17 of Biological Magnetic Resonance (Structure Computation and Dynamics) represents significant advances in the biomolecular NMR field, with emphasis on developments during the recent years. This book brings together some of the world's foremost experts who have provided broad leadership in advancing the field. Volume 17 is devoted to topics on structure computational methods and protein dynamics. It covers advances in molecular modeling on the basis of spectroscopic or diffraction data, pulse sequences and computational methods for automated assignment and structure determination, structure calculation of symmetric oligomer proteins, structure refinement by hybrid-hybrid matrix method from 3D NOESY-NOESY data, conformational ensemble calculations, complete relaxation and conformational exchange matrix analysis of NOESY spectra of ligand-receptor complexes, and advances involving field-induced residual dipolar couplings in weakly aligned macromolecules, protein dynamics from 15N and 13C relaxation, and protein hydration from multinuclear relaxation dispersion and intermolecular water-solute NOEs.

Inhalt
Computational Methods.- Aspects of Modeling Biomolecular Structure on the Basis of Spectroscopic or Diffraction Data.- Combined Automated Assignment of NMR Spectra and Calculation of Three-Dimensional Protein Structures.- NMR Pulse Sequences and Computational Approaches for Automated Analysis of Sequence-specific Backbone Resonance Assignments of Proteins.- Calculation of Symmetric Oligomer Structures from NMR Data.- Hybrid-Hybrid Matrix Method for 3D NOESY-NOESY Data Refinements.- Conformational Ensemble Calculations: Analysis of Protein and Nucleic Acid NMR Data.- Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of NOESY Spectra of Reversibly Forming Ligand-Receptor Complexes Application to Transferred NOESY.- Structure and Dynamics.- Protein Structure and Dynamics from Field-Induced Residual Dipolar Couplings.- Recent Developments in Studying the Dynamics of Protein Structures from and 15N and 13C Relaxation Time Measurements.- Multinuclear Relaxation Dispersion Studies of Protein Hydration.- Hydration Studies of Biological Macromolecules by Intermolecular Water-Solute NOEs.