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

2010, ISBN: 9789048182275

Editor: York, Darrin M. Editor: Lee, Tai-Sung, Springer, Paperback, Auflage: Softcover reprint of hardcover 1st ed. 2009, 434 Seiten, Publiziert: 2010-10-28T00:00:01Z, Produktgruppe: Book… Meer...

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

2010, ISBN: 9789048182275

Editor: York, Darrin M. Editor: Lee, Tai-Sung, Springer, Paperback, Auflage: Softcover reprint of hardcover 1st ed. 2009, 434 Seiten, Publiziert: 2010-10-28T00:00:01Z, Produktgruppe: Book… Meer...

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Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber)
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Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber):
Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - pocketboek

2010

ISBN: 9048182271

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Softcover reprint of hardcover 1st ed. 2009 Kartoniert / Broschiert Quanten- und theoretische Chemie, Nanotechnologie, Materialwissenschaft, FreeEnergyMethods; LinearScalingTechniques; … Meer...

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Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber)
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Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber):
Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - pocketboek

2010, ISBN: 9048182271

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Softcover reprint of hardcover 1st ed. 2009 Kartoniert / Broschiert Quanten- und theoretische Chemie, Nanotechnologie, Materialwissenschaft, FreeEnergyMethods; LinearScalingTechniques; … Meer...

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Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber)
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Lee, Tai-Sung (Herausgeber); York, Darrin M. (Herausgeber):
Multi-scale Quantum Models for Biocatalysis Modern Techniques and Applications - pocketboek

2010, ISBN: 9048182271

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Softcover reprint of hardcover 1st ed. 2009 Kartoniert / Broschiert Quanten- und theoretische Chemie, Nanotechnologie, Materialwissenschaft, FreeEnergyMethods; LinearScalingTechniques; … Meer...

Verzendingskosten:Versandkostenfrei innerhalb der BRD. (EUR 0.00) MARZIES.de Buch- und Medienhandel, 14621 Schönwalde-Glien
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Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications: 7 (Challenges and Advances in Computational Chemistry and Physics, 7)
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Titel:
ISBN:

9789048182275


"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.

Gedetalleerde informatie over het boek. - Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications: 7 (Challenges and Advances in Computational Chemistry and Physics, 7)


EAN (ISBN-13): 9789048182275
ISBN (ISBN-10): 9048182271
Gebonden uitgave
pocket book
Verschijningsjaar: 2010
Uitgever: Springer
436 Bladzijden
Gewicht: 0,655 kg
Taal: eng/Englisch

Boek bevindt zich in het datenbestand sinds 2011-09-26T16:10:31+02:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2024-03-03T21:35:01+01:00 (Amsterdam)
ISBN/EAN: 9789048182275

ISBN - alternatieve schrijfwijzen:
90-481-8227-1, 978-90-481-8227-5
alternatieve schrijfwijzen en verwante zoekwoorden:
Auteur van het boek: lee, tai, kim sung
Titel van het boek: model, chemistry quantum modern, modern applications, advances quantum chemistry

Gegevens van de uitgever

Auteur: Darrin M. York; Tai-Sung Lee
Titel: Challenges and Advances in Computational Chemistry and Physics; Multi-scale Quantum Models for Biocatalysis - Modern Techniques and Applications
Uitgeverij: Springer; Springer Netherland
420 Bladzijden
Verschijningsjaar: 2010-10-28
Dordrecht; NL
Gedrukt / Gemaakt in
Taal: Engels
320,99 € (DE)
329,99 € (AT)
354,00 CHF (CH)
POD
XIV, 420 p.

BC; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Biocatalysis; Free Energy Methods; Linear Scaling Techniques; Path Integrals; Polarizable Force Fields; Potential; QM/MM methods; Solvent Boundries; abinitio MD; catalysis; nanotechnology; Theoretical Chemistry; Catalysis; Materials Science; Nanotechnology; Katalyse; Materialwissenschaft; Nanotechnologie; BB

Overview of Methodologies.- Mixed Quantum-Classical Calculations in Biological Systems.- The Oniom Method and its Applications to Enzymatic Reactions.- Comparison Of Reaction Barriers In Energy And Free Energy For Enzyme Catalysis.- Quantum Mechanical Methods for Biomolecular Simulations.- Fast Quantum Models with Empirical Treatments.- Towards an Accurate Semi-Empirical Molecular Orbital Treatment of Covalent and Non-Covalent Biological Interactions.- Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics.- “Multi-Scale” QM/MM Methods with Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB).- Coarse-Grained Intermolecular Potentials Derived From The Effective Fragment Potential: Application To Water, Benzene, And Carbon Tetrachloride.- Formalisms for the Explicit Inclusion of Electronic Polarizability in Molecular Modeling and Dynamics Studies.- Biocatalysis Applications.- Modeling Protonation Equilibria In Biological Macromolecules.- Quantum Mechanical Studies of the Photophysics of DNA and RNA Bases.- Ab Initio Quantum Mechanical/Molecular Mechanical Studies of Histone Modifying Enzymes.- Interpreting The Observed Substrate Selectivity And The Product Regioselectivity In Orf2-Catalyzed Prenylation From X-Ray Structures.- Unraveling the Mechanisms of Ribozyme Catalysis with Multiscale Simulations.
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
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