| Description |
1 online resource (xii, 230 pages) : illustrations (some color) |
| Contents |
1. Introduction. 1.1. Protein structure. 1.2. Structure determination. 1.3. Dynamics simulation. 1.4. The myth of protein folding -- 2. X-ray crystallography computing. 2.1. The phase problem. 2.2. Least squares solutions. 2.3. Entropy maximization. 2.4. Indirect methods -- 3. NMR structure determination. 3.1. Nuclear magnetic resonance. 3.2. Distance geometry. 3.3. Distance-based modeling. 3.4. Structural analysis -- 4. Potential energy minimization. 4.1. Potential energy function. 4.2. Local optimization. 4.3. Global optimization. 4.4. Energy transformation -- 5. Molecular dynamics simulation. 5.1. Equations of motion. 5.2. Initial-value problem. 5.3. Boundary-value problem. 5.4. Normal mode analysis -- 6. Knowledge-based protein modeling. 6.1. Sequence/structural alignment. 6.2. Fold recognition/inverse folding. 6.3. Knowledge-based structural refinement. 6.4. Structural computing and beyond |
| Summary |
While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledge-based modeling. This book helps fill the gap by providing such a survey on all the related subjects. Comprising a collection of lecture notes for a computational structural biology course for the Program on Bioinformatics and Computational Biology at Iowa State University, the book is in essence a comprehensive summary of computational structural biology based on the author's own extensive research experience, and a review of the subject from the perspective of a computer scientist or applied mathematician. Readers will gain a deeper appreciation of the biological importance and mathematical novelty of the research in the field |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| Subject |
Proteins -- Structure -- Computer simulation
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Protein folding -- Computer simulation.
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Proteins -- Structure -- Mathematical models
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Protein folding -- Mathematical models
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Computational biology.
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Bioinformatics.
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SCIENCE -- Life Sciences -- Biochemistry.
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Bioinformatics
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Computational biology
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Protein folding -- Computer simulation
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Protein folding -- Mathematical models
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Proteins -- Structure -- Computer simulation
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Proteins -- Structure -- Mathematical models
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| Form |
Electronic book
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| LC no. |
2009275856 |
| ISBN |
9812814787 |
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9789812814784 |
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128196817X |
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9781281968173 |
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