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Large-Scale Quantum-Mechanical Enzymology, Greg Lever


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Автор: Greg Lever
Название:  Large-Scale Quantum-Mechanical Enzymology
ISBN: 9783319193502
Издательство: Springer
Классификация:






ISBN-10: 3319193503
Обложка/Формат: Hardcover
Страницы: 148
Вес: 0.42 кг.
Дата издания: 25.06.2015
Серия: Springer Theses
Язык: English
Издание: 2015 ed.
Иллюстрации: 12 illustrations, color; 18 illustrations, black and white; xvii, 148 p. 30 illus., 12 illus. in color.
Размер: 234 x 156 x 11
Читательская аудитория: Professional & vocational
Основная тема: Biological and Medical Physics, Biophysics
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable of simulating entire enzymes at the ab initio quantum-mechanical level of accuracy. DFT has transformed the physical sciences by allowing researchers to perform parameter-free quantum-mechanical calculations to predict a broad range of physical and chemical properties of materials. In principle, similar methods could be applied to biological problems. However, even the simplest biological systems contain many thousands of atoms and are characterized by extremely complex configuration spaces associated with a vast number of degrees of freedom. The development of linear-scaling density-functional codes makes biological molecules accessible to quantum-mechanical calculation, but has yet to resolve the complexity of the phase space. Furthermore, these calculations on systems containing up to 2,000 atoms can capture contributions to the energy that are not accounted for in QM/MM methods (for which the Nobel prize in Chemistry was awarded in 2013) and the results presented here reveal profound shortcomings in said methods.
Дополнительное описание: Introduction.- Proteins, Enzymes and Biological Catalysis.- Computational Techniques.- Validation Studies.- Explaining the Closure of CHOMO-LUMO Gaps in Biomolecular Systems.- A Density-Functional Perspective on the Chorismate Mutase Enzyme.- Concluding R


Hydrolysis in Drug and Prodrug Metabolism: Chemistry, Biochemistry, and Enzymology

Автор: Bernard Testa
Название: Hydrolysis in Drug and Prodrug Metabolism: Chemistry, Biochemistry, and Enzymology
ISBN: 390639025X ISBN-13(EAN): 9783906390253
Издательство: Wiley
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Цена: 158400.00 T
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Описание: In this volume, Professor Bernard Testa and Dr Joachim Mayer discuss the molecular and biochemical aspects of metabolic reactions of hydrolysis and hydration. While an encyclopaedic treatment is avoided, the covered topics include biochemicproperties of the enzymes/isozymes, drug-enzyme interactions, the various chemical reactions catalyzed by the enzyme(s), reaction mechanisms and catalytic cycles, regio- and stereoselectivities, structure-metabolism relationships, molecular aspects of toxication and detoxication, as well as enzyme inhibition. The classification of matters is based mainly on the types of target groups and compounds being transformed, with carefully selected examples illustrating the reactions under discussion. Such a treatment has heuristic value since it renders the reader capable of educated guesses on the metabolism of other or novel drugs.

Methods in Enzymology

Автор: Spies, Maria
Название: Methods in Enzymology
ISBN: 012809267X ISBN-13(EAN): 9780128092675
Издательство: Elsevier Science
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Цена: 162820.00 T
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Описание: Single-Molecule Enzymology, Part A, the latest volume in the Methods in Enzymology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. This volume covers research methods in single-molecule enzymology, and includes sections on such topics as force-based and hybrid approaches, fluorescence, high-throughput sm enzymology, nanopores, and tethered particle motion.

Fundamentals of Enzymology. 3ed.IE

Автор: Price & Stevens
Название: Fundamentals of Enzymology. 3ed.IE
ISBN: 019850229X ISBN-13(EAN): 9780198502296
Издательство: Oxford Academ
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Цена: 77080.00 T
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Описание: Enzymes are biological catalysts that have a number of remarkable properties. Fundamentals of Enzymology, 3rd ed builds on the strengths of the previous two editions to show how we can understand these properties and explain how enzymes work in cells and organisms and how they can be clinically and commercially exploited.

Methods in Enzymology V 352

Название: Methods in Enzymology V 352
ISBN: 0121822559 ISBN-13(EAN): 9780121822552
Издательство: Elsevier Science
Цена: 132640.00 T
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Описание: The critically acclaimed laboratory standard for more than forty years, Methods in Enzymology is one of the most high respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with more than 300 volumes (all of them still in print), the series contains much material still relevant today-truly an essential publication for researchers in all fields of life sciences.

Methods in Enzymology V 373

Название: Methods in Enzymology V 373
ISBN: 0121822761 ISBN-13(EAN): 9780121822767
Издательство: Elsevier Science
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Цена: 132640.00 T
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Описание: Liposomes are cellular structures made up of lipid molecules. Important as a cellular model in the study of basic biology liposomes are also used in clinical applications such as drug delivery and virus studies.

Enzymology at the Membrane Interface: Intramembrane Proteases,584

Автор: Gelb, Michael H
Название: Enzymology at the Membrane Interface: Intramembrane Proteases,584
ISBN: 0128122137 ISBN-13(EAN): 9780128122136
Издательство: Elsevier Science
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Цена: 162820.00 T
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Описание:

Enzymology at the Membrane Interface: Intramembrane Proteases, Volume 584, the latest release in the Methods in Enzymology series, covers a subset of enzymes that work in the environment of the biological cell membrane. This field, called interfacial enzymology, involves a special series of experimental approaches for the isolation and study of these enzymes.

Methods in Enzymology V 358

Название: Methods in Enzymology V 358
ISBN: 0121822613 ISBN-13(EAN): 9780121822613
Издательство: Elsevier Science
Цена: 139520.00 T
Наличие на складе: Невозможна поставка.
Описание: The critically acclaimed laboratory standard for more than forty years, Methods in Enzymology is one of the most highly respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with more than 300 volumes (all of them still in print), the series contains much material still relevant today-truly an essential publication for researchers in all fields of life sciences.


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