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Lecture notes on computational structural biology:

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Bibliographic Details
Main Author:	Wu, Zhijun (Author)
Format:	Book
Language:	English
Published:	New Jersey, NJ World Scientific Publ. 2008
Links:	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020160394&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Physical Description:	XII, 230 S. graph. Darst.

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Record in the Search Index

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adam_text	LECTURE NOTES ON COMPUTATIONAL STRUCTURAL BIOLOGY ZHIJUN WU IOWA STATE UNIVERSITY, USA W WORLD SCIENTIFIC NEW JERSEY * LONDON * SINGAPORE * BEIJING * SHANGHAI * HONG KONG * TAIPEI * CHENNAI CONTENTS PREFACE VII 1 INTRODUCTION 1 1.1 PROTEIN STRUCTURE 1 1.2 STRUCTURE DETERMINATION 9 1.3 DYNAMICS SIMULATION 13 1.4 THE MYTH OF PROTEIN FOLDING 18 2 X-RAY CRYSTALLOGRAPHY COMPUTING 27 2.1 THE PHASE PROBLEM 27 2.2 LEAST SQUARES SOLUTIONS 37 2.3 ENTROPY MAXIMIZATION 46 2.4 INDIRECT METHODS 54 3 NMR STRUCTURE DETERMINATION 63 3.1 NUCLEAR MAGNETIC RESONANCE 63 3.2 DISTANCE GEOMETRY 73 3.3 DISTANCE-BASED MODELING 81 3.4 STRUCTURAL ANALYSIS 87 4 POTENTIAL ENERGY MINIMIZATION 99 4.1 POTENTIAL ENERGY FUNCTION 100 4.2 LOCAL OPTIMIZATION 107 4.3 GLOBAL OPTIMIZATION 111 4.4 ENERGY TRANSFORMATION 116 5 MOLECULAR DYNAMICS SIMULATION 125 5.1 EQUATIONS OF MOTION 125 XII COMPUTATIONAL STRUCTURAL BIOLOGY 5.2 INITIAL-VALUE PROBLEM 129 5.3 BOUNDARY-VALUE PROBLEM 138 5.4 NORMAL MODE ANALYSIS 145 6 KNOWLEDGE-BASED PROTEIN MODELING 156 6.1 SEQUENCE/STRUCTURAL ALIGNMENT . 156 6.2 FOLD RECOGNITION/INVERSE FOLDING 165 6.3 KNOWLEDGE-BASED STRUCTURAL REFINEMENT 169 6.4 STRUCTURAL COMPUTING AND BEYOND 173 APPENDIX A DESIGN AND ANALYSIS OF COMPUTER ALGORITHMS 182 A.I EVALUATION OF ALGORITHMS 183 A.2 INTRACTABILITY 188 A.3 LISTS, ARRAYS, GRAPHS, AND TREES 192 A.4 SORTING, SEARCHING, AND OPTIMIZATION 195 APPENDIX B NUMERICAL METHODS 202 B.I NUMERICAL LINEAR ALGEBRA 202 B.2 NUMERICAL OPTIMIZATION 210 B.3 NUMERICAL SOLUTIONS TO INITIAL-VALUE PROBLEMS 218 B.4 NUMERICAL SOLUTIONS TO BOUNDARY-VALUE PROBLEMS 222 INDEX 229
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spellingShingle	Wu, Zhijun Lecture notes on computational structural biology
title	Lecture notes on computational structural biology
title_auth	Lecture notes on computational structural biology
title_exact_search	Lecture notes on computational structural biology
title_full	Lecture notes on computational structural biology Zhijun Wu
title_fullStr	Lecture notes on computational structural biology Zhijun Wu
title_full_unstemmed	Lecture notes on computational structural biology Zhijun Wu
title_short	Lecture notes on computational structural biology
title_sort	lecture notes on computational structural biology
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020160394&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
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