Ebook: Molecular Modeling and Simulation: An Interdisciplinary Guide

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Content:
Front Matter....Pages i-xliii
Biomolecular Structure and Modeling: Historical Perspective....Pages 1-32
Biomolecular Structure and Modeling: Problem and Application Perspective....Pages 33-60
Protein Structure Introduction....Pages 61-90
Protein Structure Hierarchy....Pages 91-112
Nucleic Acids Structure Minitutorial....Pages 113-146
Topics in Nucleic Acids Structure....Pages 147-198
Theoretical and Computational Approaches to Biomolecular Structure....Pages 199-224
Force Fields....Pages 225-258
Nonbonded Computations....Pages 259-304
Multivariate Minimization in Computational Chemistry....Pages 305-344
Monte Carlo Techniques....Pages 345-381
Molecular Dynamics: Basics....Pages 383-418
Molecular Dynamics: Further Topics....Pages 419-462
Similarity and Diversity in Chemical Design....Pages 463-496
Epilogue....Pages 497-497
Back Matter....Pages 499-635

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Content:
Front Matter....Pages i-xliii
Biomolecular Structure and Modeling: Historical Perspective....Pages 1-32
Biomolecular Structure and Modeling: Problem and Application Perspective....Pages 33-60
Protein Structure Introduction....Pages 61-90
Protein Structure Hierarchy....Pages 91-112
Nucleic Acids Structure Minitutorial....Pages 113-146
Topics in Nucleic Acids Structure....Pages 147-198
Theoretical and Computational Approaches to Biomolecular Structure....Pages 199-224
Force Fields....Pages 225-258
Nonbonded Computations....Pages 259-304
Multivariate Minimization in Computational Chemistry....Pages 305-344
Monte Carlo Techniques....Pages 345-381
Molecular Dynamics: Basics....Pages 383-418
Molecular Dynamics: Further Topics....Pages 419-462
Similarity and Diversity in Chemical Design....Pages 463-496
Epilogue....Pages 497-497
Back Matter....Pages 499-635
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