Molecular Modeling and Simulation: An Interdisciplinary Guide: An Interdisciplinary Guide

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Springer Science & Business Media, Aug 3, 2010 - Mathematics - 723 pages
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
 

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Contents

Historical Perspective
1
Problem and Application Perspective
41
3 Protein Structure Introduction
76
4 Protein Structure Hierarchy
105
5 Nucleic Acids Structure Minitutorial
129
DNA Interactionsand Folding
163
Noncanonical Helicesand RNA Structure
205
8 Theoretical and Computational Approaches to BiomolecularStructure
237
12 Monte Carlo Techniques
385
Basics
425
Further Topics
462
15 Similarity and Diversity in Chemical Design
519
Epilogue
554
Molecular Modeling Sample Syllabus
557
Article Reading List
559
Supplementary Course Texts
563

9 Force Fields
265
10 Nonbonded Computations
299
11 Multivariate Minimization in Computational Chemistry
345
Homework Assignments
570
References
623
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