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Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications: 7 (Challenges and Advances in Computational Chemistry and Physics, 7) - Softcover

 
9789048182275: Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications: 7 (Challenges and Advances in Computational Chemistry and Physics, 7)

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This book explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts.

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Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.

This book has three sections that group together different aspects of multi-scale quantum simulations. The first section consists of four chapters that describe strategies for multi-scale quantum models and present an overview of the current state-of-the-art molecular modelling methodologies most relevant to handling these complex systems with quantum mechanics and molecular simulation. With five chapters, the second section mainly focuses on the current efforts to improve the accuracy of quantum calculations using simplified empirical model forms. The last section consists of five chapters focused on the applications of important biological systems using multi-scale quantum models. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.

Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology. It is also likely to be of interest to graduate and undergraduate students exposed to these research areas.

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  • PublisherSpringer
  • Publication date2010
  • ISBN 10 9048182271
  • ISBN 13 9789048182275
  • BindingPaperback
  • LanguageEnglish
  • Number of pages434
  • EditorYork Darrin M., Lee Tai-Sung

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9781402099557: Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications: 7 (Challenges and Advances in Computational Chemistry and Physics, 7)

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York, Darrin M.|Lee, Tai-Sung
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. furnishes an understanding of how catalysis is achieved by biological macromoleculeswritten for those engaged in biotechnology and biomedical researcha single-source guide to the most promising computational methods used to study biocatalys. Seller Inventory # 5822054

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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -'Multi-scale Quantum Models for Biocatalysis' explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas. 436 pp. Englisch. Seller Inventory # 9789048182275

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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - 'Multi-scale Quantum Models for Biocatalysis' explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas. Seller Inventory # 9789048182275

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