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Informationen zum Autor Kenny B. Lipkowitz is a recently retired Professor of Chemistry from North Dakota State University. Thomas R. Cundari is Professor of Chemistry at the University of Memphis. Valerie Gillet is a Professor in the Department of Information Studies at the University of Sheffield. Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters. Klappentext FROM REVIEWS OF THE SERIES"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."-JOURNAL OF MOLECULAR GRAPHICS AND MODELLING"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Zusammenfassung FROM REVIEWS OF THE SERIES"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."-JOURNAL OF MOLECULAR GRAPHICS AND MODELLING"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Inhaltsverzeichnis 1. Protein Structure Classification (Patrice Koehl). Introduction. Classification and Biology. The Biomolecular Revolution. Basic Principles of Protein Structure. Visualization. Protein Building Blocks. Protein Structure Hierarchy. Three Types of Proteins. Geometry of Globular Proteins. Protein Domains. Resources on Protein Structures. Protein Structure Comparison. Automatic Identification of Protein Structural Domains. The Rigid-Body Transformation Problem. Protein Structure Superposition. cRMS: An Ambiguous Measure of Similarity. Differential Geometry and Protein Structure Comparison. Upcoming Challenges for Protein Structure Comparison. Protein Structure Classification. The Structure Classification of Proteins (SCOP). The CATH Classification. The DALI Domain Dictionary (DDD). Comparing SCOP, CATH, and DDD. Conclusions. Acknowledgments. Appendix. References. 2. Comparative Protein Modeling (Emilio Xavier Esposito, Dror Tobi, and Jeffry D. Madura). Introduction. Anatomy of a Comparative Model. Step 1: Searching for Related Sequences and Structures. Expert Protein Analysis System (ExPASy). BLAST and PSI-BLAST. Protein Data Bank (PDB). Sequence Alignment and Modeling System with Hidden Markov Models. Threading. Threader. Example: Finding Related Sequences and 3-D Structures. Step 2: Sequence Alignment. Preparing the Sequences. Alignment Basics. Similarity Matrices. Clustal. Tree-Based Consistency Objective Function for Alignment Evaluation (T-Coffee). Divide-and-Conquer Alignment (DCA). Example: Aligning Sequences. Step 3: Selecting Templates and Improving Alignments. Selecting Templates. Improving Sequence Alignments With Primary and Secondary Structure Analysis. Example: Aligning the Target to the Selected Template. Step 4: Constructing Protein Models. Satisfaction of Spat...
