Lecture Notes on Computational Structural Biology

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.

Contents:

• X-ray Crystallography Computing
• NMR Structure Determination
• Potential Energy Minimization
• Molecular Dynamics Simulation
• Knowledge-based Protein Modeling
• Appendices: Design and Analysis of Computer Algorithms
• Numerical Methods.