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Informationen zum Autor Jenny Gu, PhD, is Assistant Professor at the Skaggs School of Pharmacy and Pharmaceutical Sciences University of California, San Diego. This is her first book. Philip E. Bourne, PhD, is professor in the Department of Pharmacology at the University of California, San Diego, and Director of Integrated Biosciences at the San Diego Supercomputer Center. He is past president of the International Society for Computational Biology (ISCB). He is author of over 125 peer-reviewed scientific papers and four previous books. Klappentext Dieses Lehrbuch vermittelt in der aktualisierten Auflage noch mehr Hintergrundinformationen und praktische Anwendungen der Bioinformatik bei der Analyse makromolekularer Strukturen und zeigt, wie in der Arzneimittelforschung und -entwicklung die Bioinformatik bestimmte Prozesse noch beschleunigen kann. Zusammenfassung Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure. Inhaltsverzeichnis Foreword xi Preface xv Acknowledgments xix Contributors xxi Section I Data Collection, Analysis, and Visualization 1 1 Defining Bioinformatics and Structural Bioinformatics 3 Russ B. Altman and Jonathan M. Dugan 2 Fundamentals of Protein Structure 15 Eric D. Scheeff and J. Lynn Fink 3 Fundamentals of DNA and RNA Structure 41 Stephen Neidle, Bohdan Schneider, and Helen M. Berman 4 Computational Aspects of High-throughput Crystallographic Macromolecular StructureDetermination 77 Paul D. Adams, Ralf W. Grosse-Kunstleve, and Axel T. Brunger 5 Macromolecular Structure Determination by NMR Spectroscopy 93 John L. Markley, Arash Bahrami, Hamid R. Eghbalnia, Francis C. Peterson, Robert C. Tyler, Eldon L. Ulrich, William M. Westler, and Brian F. Volkman 6 Electron Microscopy in the Context of Structural Systems Biology 143 Niels Volkmann and Dorit Hanein 7 Study of Protein Three-dimensional Structure and Dynamics Using Peptide Amide Hydrogen/Deuterium Exchange Mass Spectrometry (DXMS) and Chemical Cross-linking with Mass Spectrometryto Constrain Molecular Modeling 171 Sheng Li, Dmitri Mouradov, Gordon King, Tong Liu, Ian Ross, Bostjan Kobe, Virgil L. Woods Jr, and Thomas Huber 8 Search and Sampling in Structural Bioinformatics 207 Ilan Samish 9 Molecular Visualization 237 Steven Bottomley and Erik Helmerhorst Section II Data Representation and Databases 269 10 The PDB FORMAT, mmCIF Formats, and Other Data Formats 271 John D. Westbrook and Paula M.D. Fitzgerald 11 The Worldwide Protein Data Bank 293 Helen M. Berman, Kim Henrick, Haruki Nakamura, and John L. Markley 12 The Nucleic Acid Database 305 Bohdan Schneider, Joanna de la Cruz, Zukang Feng, Li Chen, Shuchismita Dutta, Irina Persikova, John D. Westbrook, Huanwang Yang, Jasmine Young, Christine Zardecki, and Helen M. Berman 13 Other Structure-based Databases 321 J. Lynn Fink, Helge Weissig, and Philip E. Bourne Section III Data Integrity and Comparative Features 339 14 Structural Quality Assurance 341 Roman A. Laskowski 15 The Impact of Local Accuracy in Protein and RNA Structures: Validation as an Active Tool 377 Jane S. Richardson and David C. Richardson 16 Structure Comparison and Alignment 397 Marc A. Marti-Renom, Emidio Capriotti, Ilya N. Shindyalov, and Philip E. Bourne 17 Protein Structure Evolution and the SCOP Database 419 Raghu P. R. Metpally and Boojala V. B. Reddy 18 the Cath Domain Structure Database 433 Frances M. G. Pearl, Alison...
