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Book Categories |
Foreword | ||
Preface | ||
Acknowledgments | ||
Contributors | ||
Sect. I | Introduction | 1 |
1 | Defining Bioinformatics and Structural Bioinformatics | 3 |
2 | Fundamentals of Protein Structure | 15 |
3 | Fundamentals of DNA and RNA Structure | 41 |
4 | Computational Aspects of High-Throughput Crystallographic Macromolecular Structure Determination | 75 |
5 | Macromolecular Structure Determination by NMR Spectroscopy | 89 |
6 | Electron Microscopy | 115 |
7 | Molecular Visualization | 135 |
Sect. II | Data Representation and Databases | 159 |
8 | The PDB Format, mmCIF Formats, and Other Data Formats | 161 |
9 | The Protein Data Bank | 181 |
10 | The Nucleic Acid Database | 199 |
11 | Other Structure-Based Databases | 217 |
Sect. III | Comparative Features | 237 |
12 | Protein Structure Evolution and the Scop Database | 239 |
13 | The Cath Domain Structure Database | 249 |
14 | Structural Quality Assurance | 273 |
15 | All-Atom Contacts: A New Approach to Structure Validation | 305 |
16 | Structure Comparison and Alignment | 321 |
Sect. IV | Structure and Functional Assignment | 339 |
17 | Secondary Structure Assignment | 341 |
18 | Identifying Structural Domains in Proteins | 365 |
19 | Inferring Protein Function from Structure | 387 |
Sect. V | Protein Interactions | 409 |
20 | Prediction of Protein - Protein Interactions from Evolutionary Information | 411 |
21 | Electrostatic Interactions | 427 |
Sect. VI | Proteins as Drug Targets | 441 |
22 | Principles and Methods of Docking and Ligand Design | 443 |
23 | Structural Bioinformatics in Drug Discovery | 477 |
Sect. VII | Structure Prediction | 499 |
24 | CASP and CAFASP Experiments and their Findings | 501 |
25 | Homology Modeling | 509 |
26 | Fold Recognition Methods | 525 |
27 | AB Initio Methods | 547 |
28 | Prediction in 1D: Secondary Structure, Membrane Helices, and Accessibility | 559 |
Sect. VIII | The Future | 589 |
29 | Structure Genomics | 591 |
Index | 613 |
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