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Author :
Publisher :
ISBN 13 :
Total Pages : 465 pages
Book Rating : 4.:/5 (931 download)
Download or read book Analysis of Key Effects in Enzyme-catalysed Reactions by QM/MM Simulations written by and published by . This book was released on 2006 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Rudolf K. Allemann
Publisher : Royal Society of Chemistry
ISBN 13 : 0854041222
Total Pages : 412 pages
Book Rating : 4.8/5 (54 download)
Download or read book Quantum Tunnelling in Enzyme-catalysed Reactions written by Rudolf K. Allemann and published by Royal Society of Chemistry. This book was released on 2009 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Inaki Tunon
Publisher : Royal Society of Chemistry
ISBN 13 : 1782626832
Total Pages : 558 pages
Book Rating : 4.7/5 (826 download)
Download or read book Simulating Enzyme Reactivity written by Inaki Tunon and published by Royal Society of Chemistry. This book was released on 2016-11-16 with total page 558 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 :
Publisher : Academic Press
ISBN 13 : 0128122749
Total Pages : 634 pages
Book Rating : 4.1/5 (281 download)
Download or read book Measurement and Analysis of Kinetic Isotope Effects written by and published by Academic Press. This book was released on 2017-09-12 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: Experimental Analysis of Enzyme Mechanism Using Isotope Effects, Volume 596, the latest release in the Methods in Enzymology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. Chapters in this comprehensive update include Measurement of enzyme binding isotope effects, Chemical ligation and isotope labeling to locate dynamic effects, Measurement of heavy enzyme isotope effects, Extracting kinetic isotope effects from a global analysis of reaction progress curves, KIE of metabolic flux and enzymes, Solvent and Primary KIE on Flavin Enzymes, and The Rapid Determination of Primary Deuterium Isotope Effects on Enzyme-Catalyzed Proton Transfer at Carbon in 50/50 HOH/DOD. Readers who are interested in applying or understanding this research will find useful methods currently used for measuring isotope effects on solution and enzyme reactions. Written by pioneers of modern isotope effect research Is the only collection of modern kinetic isotope effect methods currently available
Author : W. Andrzej Sokalski
Publisher : Springer Science & Business Media
ISBN 13 : 140205372X
Total Pages : 597 pages
Book Rating : 4.4/5 (2 download)
Download or read book Molecular Materials with Specific Interactions - Modeling and Design written by W. Andrzej Sokalski and published by Springer Science & Business Media. This book was released on 2007-05-06 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Author : Alan Hinchliffe
Publisher : Royal Society of Chemistry
ISBN 13 : 1847555268
Total Pages : 543 pages
Book Rating : 4.8/5 (475 download)
Download or read book Chemical Modelling written by Alan Hinchliffe and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.
Author : Vicent Moliner
Publisher : Frontiers Media SA
ISBN 13 : 2889632725
Total Pages : 173 pages
Book Rating : 4.8/5 (896 download)
Download or read book Challenges in Computational Enzymology written by Vicent Moliner and published by Frontiers Media SA. This book was released on 2019-12-31 with total page 173 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Christopher Cramer
Publisher : Springer Science & Business Media
ISBN 13 : 3662104210
Total Pages : 205 pages
Book Rating : 4.6/5 (621 download)
Download or read book Theoretical Chemistry Accounts written by Christopher Cramer and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.
Author : Oren M. Becker
Publisher : CRC Press
ISBN 13 : 9780203903827
Total Pages : 534 pages
Book Rating : 4.9/5 (38 download)
Download or read book Computational Biochemistry and Biophysics written by Oren M. Becker and published by CRC Press. This book was released on 2001-02-09 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret b
Author : Sonsoles Martín-Santamaría
Publisher : Royal Society of Chemistry
ISBN 13 : 1788012569
Total Pages : 392 pages
Book Rating : 4.7/5 (88 download)
Download or read book Computational Tools for Chemical Biology written by Sonsoles Martín-Santamaría and published by Royal Society of Chemistry. This book was released on 2017-10-25 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rapid development of efficient computational tools has allowed researchers to tackle biological problems and to predict, analyse and monitor, at an atomic level, molecular recognition processes. This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research. Chapters from internationally renowned leaders in the field introduce concepts and discuss the impact of technological advances in computer hardware and software in explaining and predicting phenomena involving biomolecules, from small molecules to macromolecular systems. Important topics from the understanding of biomolecules to the modification of their functions are addressed, as well as examples of the application of tools in drug discovery, glycobiology, protein design and molecular recognition. Not only are the cutting-the-edge methods addressed, but also their limitations and possible future development. For anyone wishing to learn how computational chemistry and molecular modelling can provide information not easily accessible through other experimental methods, this book will be a valuable resource. It will be of interest to postgraduates and researchers in the biological and chemical sciences, medicinal and pharmaceutical chemistry, and theoretical chemistry.
Author : John P. Richard
Publisher : Elsevier
ISBN 13 : 008045819X
Total Pages : 347 pages
Book Rating : 4.0/5 (84 download)
Download or read book Advances in Physical Organic Chemistry written by John P. Richard and published by Elsevier. This book was released on 2005-11-15 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding applications from biology to solid state physics. This text is ideal for those interested in the relationship between the structure and function of organic compounds, including physical and theoretical chemists as well as organic and bioorganic chemists.
Author : Fernanda Duarte
Publisher : John Wiley & Sons
ISBN 13 : 1119245451
Total Pages : 319 pages
Book Rating : 4.1/5 (192 download)
Download or read book Theory and Applications of the Empirical Valence Bond Approach written by Fernanda Duarte and published by John Wiley & Sons. This book was released on 2017-02-10 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author :
Publisher : Academic Press
ISBN 13 : 0128118776
Total Pages : 277 pages
Book Rating : 4.1/5 (281 download)
Download or read book Structural and Mechanistic Enzymology written by and published by Academic Press. This book was released on 2017-07-17 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structural and Mechanistic Enzymology, Volume 109, the latest release in the Advances in Protein Chemistry and Structural Biology series, is an essential resource for protein chemists. Chapters in this new volume include Collagenolytic Matrix Metalloproteinase Structure–Function Relationships: Insights from Molecular Dynamics Studies, Computational Glycobiology: Mechanistic Studies of Carbohydrate-Active Enzymes and Implication for Inhibitor Design, Computational Biochemistry-Enzyme Mechanisms Explored, and A Paradigm for C-H Bond Cleavage: Structural and Functional Aspects of Transition State Stabilization by Mandelate Racemase. This series presents new information on protocols and analysis of proteins, with each volume guest edited by leading experts in a broad range of protein-related topics. This volume presents state-of-the-art contributions, providing insights into the relationship between enzyme structure, catalysis, and function. Provides cutting-edge developments in protein chemistry and structural biology Features new information about protocols and analysis of proteins Contains chapters written by authorities in their respective fields Targeted to a wide audience of researchers, specialists and students
Author : R.C. Sobti
Publisher : Springer Nature
ISBN 13 : 9811643458
Total Pages : 500 pages
Book Rating : 4.8/5 (116 download)
Download or read book Biomedical Translational Research written by R.C. Sobti and published by Springer Nature. This book was released on 2022-05-26 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, which is the first volume of Biomedical Translational Research, summarizes emerging technologies in healthcare. The book reviews the advancements in biomedical sciences in genomics, immunology, stem cell, tissue engineering, nanotechnology, computational and structural biology, biomedical engineering, and telemedicine biology. The book highlights the applications of artificial intelligence in the diagnosis of infectious diseases and examines the role of system biology approaches for understanding human complexity, variability, and its influence on health and diseases. It presents the applications of flow cytometry in monitoring the progression and treatment of disease. It covers emerging technologies in cancer research, including CRISPR-Cas9, NGS, and nanotechnology. This book is a useful source of information for clinical researchers, basic scientists, biomedical engineers, and computational biologists.
Author : Johannes Kirchmair
Publisher : John Wiley & Sons
ISBN 13 : 3527673016
Total Pages : 538 pages
Book Rating : 4.5/5 (276 download)
Download or read book Drug Metabolism Prediction written by Johannes Kirchmair and published by John Wiley & Sons. This book was released on 2014-06-26 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first professional reference on this highly relevant topic, for drug developers, pharmacologists and toxicologists. The authors provide more than a systematic overview of computational tools and knowledge bases for drug metabolism research and their underlying principles. They aim to convey their expert knowledge distilled from many years of experience in the field. In addition to the fundamentals, computational approaches and their applications, this volume provides expert accounts of the latest experimental methods for investigating drug metabolism in four dedicated chapters. The authors discuss the most important caveats and common errors to consider when working with experimental data. Collating the knowledge gained over the past decade, this practice-oriented guide presents methods not only used in drug development, but also in the development and toxicological assessment of cosmetics, functional foods, agrochemicals, and additives for consumer goods, making it an invaluable reference in a variety of disciplines.
Author :
Publisher : Academic Press
ISBN 13 : 0123864860
Total Pages : 360 pages
Book Rating : 4.1/5 (238 download)
Download or read book Computational Chemistry Methods in Structural Biology written by and published by Academic Press. This book was released on 2011-09-13 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology
Author : Barbara Kirchner
Publisher : Springer
ISBN 13 : 3662435829
Total Pages : 197 pages
Book Rating : 4.6/5 (624 download)
Download or read book Electronic Effects in Organic Chemistry written by Barbara Kirchner and published by Springer. This book was released on 2014-10-27 with total page 197 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
