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NMR of Biomolecules: Towards Mechanistic Systems Biology

Edited By: Ivano Bertini, Kathleen S McGreevy and Giacomo Parigi

John Wiley & Sons

Paperback | Mar 2012 | #197461 | ISBN-13: 9783527328505
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NHBS Price: £85.00 $111/€95 approx

About this book

Nuclear magnetic resonance (NMR) is one of the most powerful methods for imaging of biomolecules. This book is the ultimate NMR guide for researchers in the biomedical community and gives not only background and practical tips but also a forward looking view on the future of NMR in systems biology.


Preface XXI
List of Contributors XXIII
List of Abbreviations XXIX

Part One Introduction 1
1 NMR and its Place in Mechanistic Systems Biology 3
2 Structure of Biomolecules: Fundamentals 7
3 What Can be Learned About the Structure and Dynamics of Biomolecules from NMR 33

Part Two Role of NMR in the Study of the Structure and Dynamics of Biomolecules 51
4 Determination of Protein Structure and Dynamics 53
5 DNA 97
6 RNA 119
7 Intrinsically Disordered Proteins 137
8 Paramagnetic Molecules 155

Part Three Role of NMR in the Study of the Structure and Dynamics of Biomolecular Interactions 173
9 NMR Methodologies for the Analysis of Protein-Protein Interactions 175
10 Metal-Mediated Interactions 197
11 Protein-Paramagnetic Protein Interactions 205
12 Protein-RNA Interactions 219
13 Protein-DNA Interactions 239

Part Four NMR in Drug Discovery 253
14 High-Throughput Screening and Fragment-Based Design: General Considerations for Lead Discovery and Optimization 255
15 Ligand-Observed NMR in Fragment-Based Approaches 265
16 Interactions of Metallodrugs with DNA 283
17 RNA as a Drug Target 299
18 Fluorine NMR Spectroscopy for Biochemical Screening in Drug Discovery 315
19 NMR of Peptides 329

Part Five Solid-State NMR 345
20 Biomolecular Solid-State NMR/Basics 347
21 Protein Dynamics in the Solid State 367
22 Microcrystalline Proteins - An Ideal Benchmark for Methodology Development 377
23 Structural Studies of Protein Fibrils by Solid-State NMR 395
24 Solid-State NMR on Membrane Proteins: Methods and Applications 407

Part Six Frontiers in NMR Spectroscopy 419
25 Dynamic Nuclear Polarization 421
26 13C Direct Detection NMR 433
27 Speeding Up Multidimensional NMR Data Acquisition 445
28 Metabolomics 467
29 In-Cell Protein NMR Spectroscopy 479
30 Structural Investigation of Cell-Free Expressed Membrane Proteins 497

Part Seven Computational Aspects 509
31 Grid Computing 511
32 Protein-Protein Docking with HADDOCK 521
33 Automated Protein Structure Determination Methods 537
34 NMR Structure Determination of Protein-Ligand Complexes 549
35 Small Angle X-Ray Scattering/Small Angle Neutron Scattering as Methods Complementary to NMR 563

Further Reading 574
References 575
Index 609

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Ivano Bertini is the Founding Director of the Magnetic Resonance Center (CERM) at the University of Florence. He obtained the Italian degree of Doctor of Chemistry at the University of Florence in 1964, became an Assistant Professor in 1969, and Full Professor of General and Inorganic Chemistry in 1975. He is a member of the Academia Europaea and the Italian Accademia dei Lincei. He has authored over 600 scientific publications and is or has been on the editorial staff or advisory board of over 20 of the most authoritative journals in chemistry, biochemistry and inorganic chemistry.

Kathleen S. McGreevy is a researcher in bioinformatics at the Magnetic Resonance Center (CERM) at the University of Florence. Having obtained a degree in Mechanical Engineering from the University of Virginia in 2002, she also became involved in the support and management of research activities in the biomedical sciences before moving to her current position. She has been involved in the management of several European projects, notably the FP6-funded Coordination Action NMR-Life, from which this volume takes its inspiration.

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