Lecture Notes On Computational Structural Biology

E-Book Overview

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.

E-Book Content

Lecture Notes on Computational Structural Biology May 2, 2008 B-598 fm FA1 This page intentionally left blank Lecture Notes on Computational Structural Biology Zhijun Wu Iowa State University, USA World Scientific NEW JERSEY • LONDON • SINGAPORE • BEIJING • SHANGHAI • HONG KONG • TA I P E I • CHENNAI Published by World Scientific Publishing Co. Pte. Ltd. 5 Toh Tuck Link, Singapore 596224 USA office: 27 Warren Street, Suite 401-402, Hackensack, NJ 07601 UK office: 57 Shelton Street, Covent Garden, London WC2H 9HE British Library Cataloguing-in-Publication Data A catalogue record for this book is available from the British Library. LECTURE NOTES ON COMPUTATIONAL STRUCTURAL BIOLOGY Copyright © 2008 by World Scientific Publishing Co. Pte. Ltd. All rights reserved. This book, or parts thereof, may not be reproduced in any form or by any means, electronic or mechanical, including photocopying, recording or any information storage and retrieval system now known or to be invented, without written permission from the Publisher. For photocopying of material in this volume, please pay a copying fee through the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, USA. In this case permission to photocopy is not required from the publisher. ISBN-13 978-981-270-589-1 ISBN-10 981-270-589-9 Typeset by Stallion Press Email: [email protected] Printed in Singapore. Wanda - Lec Notes on Comp Struc.pmd 1 7/23/2008, 6:49 PM May 2, 2008 B-598 fm FA1 To my family v May 2, 2008 B-598 fm FA1 This page intentionally left blank May 2, 2008 B-598 fm FA1 Preface This book is a collection of the lecture notes for a course on computational structural biology taught at the Program on Bioinformatics and Computational Biology at Iowa State University, USA. It is, in a certain sense, a summary of what I have learned and understood about computational structural biology based on my own research experience, and is more of a review from the perspective of a computer scientist or applied mathematician on the subject. The book is focused on introducing computational and
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