Simulating Enzyme Reactivity

Author : Inaki Tunon
Publisher : Royal Society of Chemistry
ISBN 13 : 1782624295
Total Pages : 558 pages
Book Rating : 4.95/5 ( download)

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Download or read book Simulating Enzyme Reactivity written by Inaki Tunon and published by Royal Society of Chemistry. This book was released on 2016-11-25 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.

Author : John Maclane
Publisher : Createspace Independent Publishing Platform
ISBN 13 : 9781548041595
Total Pages : 446 pages
Book Rating : 4.99/5 ( download)

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Download or read book Simulating Enzyme Reactivity Computational Methods in Enzyme Catalysis written by John Maclane and published by Createspace Independent Publishing Platform. This book was released on 2017-06-07 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry. It has been attracting increasing attention in recent years due to the potential applications in the development of new drugs or new environmental-friendly catalysts. Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions. It is the first book offering a comprehensive perspective of the field by examining several different methodological approaches and discussing their applicability and limitations. The book provides the basic knowledge for postgraduate students and researchers in chemistry, biochemistry and biophysics, who want a deeper understanding of complex biological process at the molecular level.

Author : Arieh Warshel
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 264 pages
Book Rating : 4.96/5 ( download)

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Download or read book Computer Modeling of Chemical Reactions in Enzymes and Solutions written by Arieh Warshel and published by Wiley-Interscience. This book was released on 1991-11-29 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Author : Charles Walter
Publisher :
ISBN 13 :
Total Pages : 226 pages
Book Rating : 4.58/5 ( download)

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Download or read book Enzyme Reactions and Enzyme Systems written by Charles Walter and published by . This book was released on 1976 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Xiaoyu Wang
Publisher : Springer
ISBN 13 : 3662530686
Total Pages : 127 pages
Book Rating : 4.89/5 ( download)

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Download or read book Nanozymes: Next Wave of Artificial Enzymes written by Xiaoyu Wang and published by Springer. This book was released on 2016-07-27 with total page 127 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the fundamental concepts, the latest developments and the outlook of the field of nanozymes (i.e., the catalytic nanomaterials with enzymatic characteristics). As one of today’s most exciting fields, nanozyme research lies at the interface of chemistry, biology, materials science and nanotechnology. Each of the book’s six chapters explores advances in nanozymes. Following an introduction to the rise of nanozymes research in the course of research on natural enzymes and artificial enzymes in Chapter 1, Chapters 2 through 5 discuss different nanomaterials used to mimic various natural enzymes, from carbon-based and metal-based nanomaterials to metal oxide-based nanomaterials and other nanomaterials. In each of these chapters, the nanomaterials’ enzyme mimetic activities, catalytic mechanisms and key applications are covered. In closing, Chapter 6 addresses the current challenges and outlines further directions for nanozymes. Presenting extensive information on nanozymes and supplemented with a wealth of color illustrations and tables, the book offers an ideal guide for readers from disparate areas, including analytical chemistry, materials science, nanoscience and nanotechnology, biomedical and clinical engineering, environmental science and engineering, green chemistry, and novel catalysis.

Author : Gábor Náray-Szabó
Publisher : Springer Science & Business Media
ISBN 13 : 0306469340
Total Pages : 386 pages
Book Rating : 4.43/5 ( download)

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Download or read book Computational Approaches to Biochemical Reactivity written by Gábor Náray-Szabó and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: A quantitative description of the action of enzymes and other biological systems is both a challenge and a fundamental requirement for further progress in our und- standing of biochemical processes. This can help in practical design of new drugs and in the development of artificial enzymes as well as in fundamental understanding of the factors that control the activity of biological systems. Structural and biochemical st- ies have yielded major insights about the action of biological molecules and the mechanism of enzymatic reactions. However it is not entirely clear how to use this - portant information in a consistent and quantitative analysis of the factors that are - sponsible for rate acceleration in enzyme active sites. The problem is associated with the fact that reaction rates are determined by energetics (i. e. activation energies) and the available experimental methods by themselves cannot provide a correlation - tween structure and energy. Even mutations of specific active site residues, which are extremely useful, cannot tell us about the totality of the interaction between the active site and the substrate. In fact, short of inventing experiments that allow one to measure the forces in enzyme active sites it is hard to see how can one use a direct experimental approach to unambiguously correlate the structure and function of enzymes. In fact, in view of the complexity of biological systems it seems that only computers can handle the task of providing a quantitative structure-function correlation.

Author :
Publisher :
ISBN 13 :
Total Pages : 99 pages
Book Rating : 4.12/5 ( download)

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Download or read book Enzymatic Hydrolysis of Cellulose written by and published by . This book was released on 1991 with total page 99 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Darrin M. York
Publisher : Springer Science & Business Media
ISBN 13 : 1402099568
Total Pages : 426 pages
Book Rating : 4.64/5 ( download)

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Download or read book Multi-scale Quantum Models for Biocatalysis written by Darrin M. York and published by Springer Science & Business Media. This book was released on 2009-05-30 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: “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.

Author :
Publisher : Academic Press
ISBN 13 : 0128053631
Total Pages : 558 pages
Book Rating : 4.38/5 ( download)

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Download or read book Computational Approaches for Studying Enzyme Mechanism written by and published by Academic Press. This book was released on 2016-08-04 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches for Studying Enzyme Mechanism Part A, is the first of two volumes in the Methods in Enzymology series, focusses on computational approaches for studying enzyme mechanism. The serial achieves the critically acclaimed gold standard of laboratory practices and remains one of the most highly respected publications in the molecular biosciences. Each volume is eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with over 550 volumes, the series remains a prominent and essential publication for researchers in all fields of life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, and genetics to name a few. Focuses on computational approaches for studying enzyme mechanism Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers research methods in intermediate filament associated proteins, and contains sections on such topics as lamin-associated proteins, intermediate filament-associated proteins and plakin, and other cytoskeletal cross-linkers

Author : Paolo Carloni
Publisher : John Wiley & Sons
ISBN 13 : 3527605304
Total Pages : 294 pages
Book Rating : 4.09/5 ( download)

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Download or read book Quantum Medicinal Chemistry written by Paolo Carloni and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. For anyone striving to stay ahead in this rapidly evolving field.