Overview
- furnishes an understanding of how catalysis is achieved by biological macromolecules
- written for those engaged in biotechnology and biomedical research
- a single-source guide to the most promising computational methods used to study biocatalysis
- provides an invaluable resource to researchers interested in the further development of these theoretical methods
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 7)
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Table of contents (14 chapters)
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Front Matter
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Fast Quantum Models with Empirical Treatments
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Front Matter
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Biocatalysis Applications
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Front Matter
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Back Matter
Keywords
About this book
“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.
Editors and Affiliations
Bibliographic Information
Book Title: Multi-scale Quantum Models for Biocatalysis
Book Subtitle: Modern Techniques and Applications
Editors: Darrin M. York, Tai-Sung Lee
Series Title: Challenges and Advances in Computational Chemistry and Physics
DOI: https://doi.org/10.1007/978-1-4020-9956-4
Publisher: Springer Dordrecht
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Science+Business Media B.V. 2009
Hardcover ISBN: 978-1-4020-9955-7Published: 27 May 2009
Softcover ISBN: 978-90-481-8227-5Published: 28 October 2010
eBook ISBN: 978-1-4020-9956-4Published: 30 May 2009
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: XIV, 420
Topics: Theoretical and Computational Chemistry, Catalysis, Materials Science, general, Nanotechnology