Molecular modeling and simulation : an interdisciplinary guide
著者
書誌事項
Molecular modeling and simulation : an interdisciplinary guide
（Interdisciplinary applied mathematics, 21）
Springer, c2010
2nd ed
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
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
目次
Biomolecular Structure and Modeling: Historical Perspective.- Biomolecular Structure and Modeling: Problem and Application Perspective.- Protein Structure Introduction.- Protein Structure Hierarchy.- Nucleic Acids Structure Minitutorial.- Topics in Nucleic Acids Structure.- Theoretical and Computational Approaches to Biomolecular Structure.- Force Fields.- Nonbonded Computations.- Multivariate Minimization in Computational Chemistry.- Monte Carlo Techniques.- Molecular Dynamics: Basics.- Molecular Dynamics: Further Topics.- Similarity and Diversity in Chemical Design.- Epilogue.- Appendices.- Index.
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