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Author : Inaki Tunon,Vicent Moliner
Publisher : Royal Society of Chemistry
Page : 558 pages
File Size : 44,7 Mb
Release : 2016-11-25
Category : Science
ISBN : 9781782624295
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
Page : 446 pages
File Size : 46,9 Mb
Release : 2017-06-07
Category : Electronic
ISBN : 1548041599
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
Page : 264 pages
File Size : 55,5 Mb
Release : 1991-11-29
Category : Computers
ISBN : UOM:39015024769096
This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.
Author : Gábor Náray-Szabó,Arieh Warshel
Publisher : Springer Science & Business Media
Page : 381 pages
File Size : 41,9 Mb
Release : 2006-04-11
Category : Science
ISBN : 9780306469343
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 : Charles Walter
Publisher : Unknown
Page : 226 pages
File Size : 55,5 Mb
Release : 1976
Category : Science
ISBN : UCAL:B4530858
Author : Scott Jay Weiner
Publisher : Unknown
Page : 412 pages
File Size : 46,9 Mb
Release : 1984
Category : Catalysis
ISBN : UCAL:X45068
Author : F. Xavier Malcata
Publisher : Wiley
Page : 0 pages
File Size : 45,6 Mb
Release : 2023-06-05
Category : Technology & Engineering
ISBN : 1118673204
Provides a thorough study of the engineering of enzyme reactors, including comprehensive mathematical modeling and optimization Enzyme Reactor Engineering: Principles and Applications sequentially covers the three classical levels of description: macroscopic, or ideal; microscopic, or nonideal in terms of hydrodynamics (including homogeneous, nontrivial flow patterns, as well as heterogeneous systems); and submicroscopic, in terms of mixing. Major emphasis is placed on general simulation from first principles, rather than empirical correlation. This methodology rationally departs from balance equations, carefully eliminates overparameterization, and establishes dimensionless, simpler relationships; and builds on such models to find optima of relevance, while constructing rational strategies to approach common problems. This book begins with an organized introduction to enzyme reactor engineering, followed by two major parts—analysis of enzyme reaction kinetics, and analysis of enzyme reactor features. It concludes with a brief coverage of relevant mathematical concepts. A carefully paced approach, suitable even for nonspecialists, allows the reader to gain insight about the detailed kinetics of the reaction brought about by a general enzyme, and provides the complementary tools necessary to design and optimize the overall reactor behavior. Provides thorough study of the engineering of enzyme reactors, including comprehensive mathematical modeling, and coverage of additional topics (e.g. separation, control) required for effective integration and overall understanding Chapters introduce basic phenomenological principles and subsequently derive usable results, ending up with generic examples of germane applications Environmental concerns supporting white biotechnology, and a growing portfolio of available, tailored and less expensive enzymes on the market have turned enzyme reactors into a better and better performing (and recommended) technology for industrial implementation. Enzyme Reactor Engineering is thus the ideal text to support that effort–suitable for students, researchers, and practitioners working in chemical engineering, biochemistry, biological engineering, chemistry, physical chemistry, and applied physics.
Author : Anonim
Publisher : Academic Press
Page : 558 pages
File Size : 51,9 Mb
Release : 2016-08-04
Category : Medical
ISBN : 9780128053638
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 : Katsuya Hayashi,Naoto Sakamoto
Publisher : Springer
Page : 392 pages
File Size : 55,8 Mb
Release : 1986-02
Category : Medical
ISBN : UCAL:B5041053
This book is concerned with a quantitative analysis of dynamic behavior of various enzymatic reaction systems by computer simulation. The authors and coworkers have been engaged in cooperative research since 1975, seeking to clarify the catalytic and regulatory characteristics of enzymatic reactions in vivo and control mechanisms suitable for enzyme technology. Rather than "enzyme kinetics" generally known in enzymol· ogy, this research has employed an approach called "enzyme dynamics" which concentrates on the exact schematic representation of an actual reac tion mechanism, derivation of rate equation on the basis of the scheme, and computer simulation of its dynamic behavior (numerical solution of the rate equation and explanation of kinetic and regulatory properties of the enzymatic reaction). A rate equation representing the behavior of enzymatic reactions is gen erally expressed by a set of nonlinear differential equations. The analytic solution of rate equations is therefore impossible in general, making it necessary to introduce some approximations in order to analyze the exper· imental data in enzyme kinetics. For example, under an assumption of excess substrate against enzyme in a closed system, we commonly use the linear approximation for the early period of reaction, the quasi-steady state approximation based on putative maintenance of steady state in en zyme species, and the rapid-equilibrium approximation assuming instantane ous equilibration in complex formation and between complexes. The kinetic characteristics obtained by these approximations do not always reflect the dynamic behavior of actual enzymatic reactions.
Author : Xiaoyu Wang,Wenjing Guo,Yihui Hu,Jiangjiexing Wu,Hui Wei
Publisher : Springer
Page : 127 pages
File Size : 42,6 Mb
Release : 2016-07-27
Category : Technology & Engineering
ISBN : 9783662530689
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 : Markus Reiher
Publisher : Springer Science & Business Media
Page : 368 pages
File Size : 43,6 Mb
Release : 2007-01-08
Category : Science
ISBN : 9783540380825
With contributions by numerous experts
Author : Anonim
Publisher : Unknown
Page : 99 pages
File Size : 47,8 Mb
Release : 1991
Category : Electronic
ISBN : OCLC:66139112
Author : Darrin M. York,Tai-Sung Lee
Publisher : Springer Science & Business Media
Page : 426 pages
File Size : 42,8 Mb
Release : 2009-05-30
Category : Science
ISBN : 9781402099564
“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 : Daniel L. Purich
Publisher : Elsevier
Page : 920 pages
File Size : 50,5 Mb
Release : 2010-06-16
Category : Science
ISBN : 9780123809254
Far more than a comprehensive treatise on initial-rate and fast-reaction kinetics, this one-of-a-kind desk reference places enzyme science in the fuller context of the organic, inorganic, and physical chemical processes occurring within enzyme active sites. Drawing on 2600 references, Enzyme Kinetics: Catalysis & Control develops all the kinetic tools needed to define enzyme catalysis, spanning the entire spectrum (from the basics of chemical kinetics and practical advice on rate measurement, to the very latest work on single-molecule kinetics and mechanoenzyme force generation), while also focusing on the persuasive power of kinetic isotope effects, the design of high-potency drugs, and the behavior of regulatory enzymes. Historical analysis of kinetic principles including advanced enzyme science Provides both theoretical and practical measurements tools Coverage of single molecular kinetics Examination of force generation mechanisms Discussion of organic and inorganic enzyme reactions
Author : National Academy of Sciences (U.S.)
Publisher : Unknown
Page : 1260 pages
File Size : 43,9 Mb
Release : 2005
Category : Science
ISBN : WISC:89099176976