Quantum Tunnelling In Enzyme Catalysed Reactions
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Quantum Tunnelling In Enzyme Catalysed Reactions
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Author : Rudolf K. Allemann
language : en
Publisher: Royal Society of Chemistry
Release Date : 2009
Quantum Tunnelling In Enzyme Catalysed Reactions written by Rudolf K. Allemann and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Science categories.
In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
Kinetics And Dynamics
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Author : Piotr Paneth
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-08-03
Kinetics And Dynamics written by Piotr Paneth and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-03 with Science categories.
"Kinetics and Dynamics" on molecular modeling of dynamic processes opens with an introductory overview before discussing approaches to reactivity of small systems in the gas phase. Then it examines studies of systems of increasing complexity up to the dynamics of DNA. This title has interdisciplinary character presenting wherever possible an interplay between the theory and the experiment. It provides basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling of dynamic processes in chemical and biochemical systems. All contributing authors are renowned experts in their fields and topics covered in this volume represent the forefront of today’s science.
Computational Approaches For Studying Enzyme Mechanism
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Author :
language : en
Publisher: Academic Press
Release Date : 2016-08-04
Computational Approaches For Studying Enzyme Mechanism written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-08-04 with Medical categories.
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
Tunnelling In Molecules
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Author : Johannes Kästner
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-09-22
Tunnelling In Molecules written by Johannes Kästner and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-22 with Science categories.
Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical tunnelling observations might be infrequent in chemistry, but it permeates through all its disciplines producing remarkable chemical outcomes. For that reason, the 21st century has seen a great increase in theoretical and experimental findings involving molecular tunnelling effects, as well as in novel techniques that permit their accurate predictions and analysis. Including experimental, computational and theoretical chapters, from the physical and organic to the biochemistry fields, from the applied to the academic arenas, this new book provides a broad and conceptual perspective on tunnelling reactions and how to study them. Quantum Tunnelling in Molecules is the obligatory stop for both the specialist and those new to this world.
Theory And Applications Of The Empirical Valence Bond Approach
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Author : Fernanda Duarte
language : en
Publisher: John Wiley & Sons
Release Date : 2017-04-17
Theory And Applications Of The Empirical Valence Bond Approach written by Fernanda Duarte and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-04-17 with Science categories.
A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes. Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems Edited by a rising star in the field of computational enzymology Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach
Visions Of The Future Chemistry And Life Science
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Author : J. M. T. Thompson
language : en
Publisher: Cambridge University Press
Release Date : 2001-07-12
Visions Of The Future Chemistry And Life Science written by J. M. T. Thompson and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-07-12 with Science categories.
Leading young scientists give engaging reviews of their research areas and exciting visions of future developments.
Biomolecular Kinetics
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Author : Clive R. Bagshaw
language : en
Publisher: CRC Press
Release Date : 2017-10-04
Biomolecular Kinetics written by Clive R. Bagshaw and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-04 with Medical categories.
"a gem of a textbook which manages to produce a genuinely fresh, concise yet comprehensive guide" –Mark Leake, University of York "destined to become a standard reference.... Not just a ‘how to’ handbook but also an accessible primer in the essentials of kinetic theory and practice." –Michael Geeves, University of Kent "covers the entire spectrum of approaches, from the traditional steady state methods to a thorough account of transient kinetics and rapid reaction techniques, and then on to the new single molecule techniques" –Stephen Halford, University of Bristol This illustrated treatment explains the methods used for measuring how much a reaction gets speeded up, as well as the framework for solving problems such as ligand binding and macromolecular folding, using the step-by-step approach of numerical integration. It is a thoroughly modern text, reflecting the recent ability to observe reactions at the single-molecule level, as well as advances in microfluidics which have given rise to femtoscale studies. Kinetics is more important now than ever, and this book is a vibrant and approachable entry for anyone who wants to understand mechanism using transient or single molecule kinetics without getting bogged down in advanced mathematics. Clive R. Bagshaw is Emeritus Professor at the University of Leicester, U.K., and Research Associate at the University of California at Santa Cruz, U.S.A.
Principles Of Thermal Ecology
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Author : Andrew Clarke
language : en
Publisher: Oxford University Press
Release Date : 2017
Principles Of Thermal Ecology written by Andrew Clarke and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017 with Science categories.
Temperature affects everything. It influences all aspects of the physical environment and governs any process that involves a flow of energy, setting boundaries on what an organism can or cannot do. This novel textbook reveals the key principles behind the complex relationship between organisms and temperature, namely the science of thermal ecology. It starts by providing a rigorous framework for understanding the flow of energy in and out of the organism, before describing the influence of temperature on what organisms can do and how fast they can do it. With these fundamental principles covered, the bulk of the book explores thermal ecology itself, incorporating the important extra dimension of interactions with other organisms. An entire chapter is devoted to the crucially important subject of how organisms are responding to climate change. Indeed, the threat of rapid climatic change on a global scale is a stark reminder of the challenges that remain for evolutionary thermal biologists, and adds a sense of urgency to this book's mission.
Green Chemistry And Computational Chemistry
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Author : Liliana L. Mammino
language : en
Publisher: Elsevier
Release Date : 2021-11-17
Green Chemistry And Computational Chemistry written by Liliana L. Mammino and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-17 with Science categories.
Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry Supports readers in easily selecting the most appropriate path through the book for their own needs Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches
Simulating Enzyme Reactivity
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Author : Inaki Tunon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2016-11-16
Simulating Enzyme Reactivity written by Inaki Tunon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-16 with Science categories.
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.