Simulating Enzyme Reactivity

Simulating Enzyme Reactivity PDF Author: Inaki Tunon
Publisher: Royal Society of Chemistry
ISBN: 1782626832
Category : Science
Languages : en
Pages : 558

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Book Description
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.

Simulating Enzyme Reactivity

Simulating Enzyme Reactivity PDF Author: Inaki Tunon
Publisher: Royal Society of Chemistry
ISBN: 1782626832
Category : Science
Languages : en
Pages : 558

Get Book Here

Book Description
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.

Simulating Enzyme Reactivity

Simulating Enzyme Reactivity PDF Author: Inaki Tunon
Publisher: Royal Society of Chemistry
ISBN: 1782624295
Category : Science
Languages : en
Pages : 558

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Book Description
Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.

Computer Modeling of Chemical Reactions in Enzymes and Solutions

Computer Modeling of Chemical Reactions in Enzymes and Solutions PDF Author: Arieh Warshel
Publisher: Wiley-Interscience
ISBN: 9780471184409
Category : Science
Languages : en
Pages : 0

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Book Description
This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Quantum Medicinal Chemistry

Quantum Medicinal Chemistry PDF Author: Paolo Carloni
Publisher: John Wiley & Sons
ISBN: 3527605304
Category : Science
Languages : de
Pages : 294

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Book Description
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.

Nanozymes: Next Wave of Artificial Enzymes

Nanozymes: Next Wave of Artificial Enzymes PDF Author: Xiaoyu Wang
Publisher: Springer
ISBN: 3662530686
Category : Technology & Engineering
Languages : en
Pages : 134

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Book Description
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.

Atomistic Approaches in Modern Biology

Atomistic Approaches in Modern Biology PDF Author: Markus Reiher
Publisher: Springer Science & Business Media
ISBN: 3540380825
Category : Science
Languages : en
Pages : 368

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Book Description
With contributions by numerous experts

Analysis of Enzyme Kinetic Data

Analysis of Enzyme Kinetic Data PDF Author: Athel Cornish-Bowden
Publisher: Oxford University Press, USA
ISBN:
Category : Medical
Languages : en
Pages : 224

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Book Description
This book introduces the theory and practice of statistical analysis of kinetic data for enzyme-catalysed reactions in the steady state. It includes a detailed description of the use of the Leonora program for analysing enzyme kinetic data, together with the program on an IBM PC compatibledisk. Default options and a worked example provide invaluable guidance for the student and the novice and in addition Analysis of Enzyme Kinetic Data provides each reader with the necessary software and the required understanding to tailor an analysis to the requirements of their own research. Theoretical topics include basic principles of a least squares analysis; fitting the Michaelis-Menten equation by a least squares analysis; the general linear model; residual plots; maximum likdlihood and efficiency; generalised medians; and robust regression. Practical topics include examinationand fitting of statistical data; installation of Leonora, its use, simulations, MENUs, and customization.

Molecular Mechanical and Quantum Mechanical Simulations of Enzyme Catalysis

Molecular Mechanical and Quantum Mechanical Simulations of Enzyme Catalysis PDF Author: Scott Jay Weiner
Publisher:
ISBN:
Category : Catalysis
Languages : en
Pages : 412

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Book Description


Fundamentals of Enzyme Kinetics

Fundamentals of Enzyme Kinetics PDF Author: Athel Cornish-Bowden
Publisher: Elsevier
ISBN: 1483161196
Category : Science
Languages : en
Pages : 245

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Book Description
Fundamentals of Enzyme Kinetics details the rate of reactions catalyzed by different enzymes and the effects of varying the conditions on them. The book includes the basic principles of chemical kinetics, especially the order of a reaction and its rate constraints. The text also gives an introduction to enzyme kinetics - the idea of an enzyme-substrate complex; the Michaelis-Menten equation; the steady state treatment; and the validity of its assumption. Practical considerations, the derivation of steady-state rate equations, inhibitors and activators, and two-substrate reactions are also explained. Problems after the end of each chapter have also been added, as well as their solutions at the end of the book, to test the readers' learning. The text is highly recommended for undergraduate students in biochemistry who wish to study about enzymes or focus completely on enzymology, as most of the mathematics used in this book, which have been explained in detail to remove most barriers of understanding, is elementary.

Designed Folded Polypeptide Model Systems for the Study of Enzyme Mimicking Reactions

Designed Folded Polypeptide Model Systems for the Study of Enzyme Mimicking Reactions PDF Author: Martin Kjellstrand
Publisher:
ISBN:
Category : Enzyme kinetics
Languages : en
Pages : 164

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Book Description