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. Xray 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. Distancebased 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. Initialvalue problem. 5.3. Boundaryvalue problem. 5.4. Normal mode analysis  6. Knowledgebased protein modeling. 6.1. Sequence/structural alignment. 6.2. Fold recognition/inverse folding. 6.3. Knowledgebased 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 Xray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledgebased 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


Protein folding  Computer simulation.


Proteins  Structure  Mathematical models


Protein folding  Mathematical models


Computational biology.


Bioinformatics.


SCIENCE  Life Sciences  Biochemistry.


Bioinformatics


Computational biology


Protein folding  Computer simulation


Protein folding  Mathematical models


Proteins  Structure  Computer simulation


Proteins  Structure  Mathematical models

Form 
Electronic book

LC no. 
2009275856 
ISBN 
9812814787 

9789812814784 

128196817X 

9781281968173 
