Computational Methods For Modeling Enzymes

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Simulating Enzyme Reactivity

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Author : Inaki Tunon
Publisher : Royal Society of Chemistry
ISBN 13 : 1782624295
Total Pages : 558 pages
Book Rating : 4.7/5 (826 download)

Book Synopsis Simulating Enzyme Reactivity by : Inaki Tunon

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.

Computer Modeling of Chemical Reactions in Enzymes and Solutions

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Author : Arieh Warshel
Publisher : Wiley-Interscience
ISBN 13 : 9780471184409
Total Pages : 0 pages
Book Rating : 4.1/5 (844 download)

Book Synopsis Computer Modeling of Chemical Reactions in Enzymes and Solutions by : Arieh Warshel

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 1997-03-28 with total page 0 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.

Lignin

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Author : Matheus Poletto
Publisher : BoD – Books on Demand
ISBN 13 : 9535139010
Total Pages : 310 pages
Book Rating : 4.5/5 (351 download)

Book Synopsis Lignin by : Matheus Poletto

Download or read book Lignin written by Matheus Poletto and published by BoD – Books on Demand. This book was released on 2018-03-21 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lignin - Trends and Applications consists of 11 chapters related to the lignin structure, modification, depolymerization, degradation process, computational modeling, and applications. This is a useful book for readers from diverse areas, such as physics, chemistry, biology, materials science, and engineering. It is expected that this book may expand the reader's knowledge about this complex natural polymer.

Computational Methods in Neural Modeling

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Author : José Mira
Publisher : Springer
ISBN 13 : 3540448683
Total Pages : 781 pages
Book Rating : 4.5/5 (44 download)

Book Synopsis Computational Methods in Neural Modeling by : José Mira

Download or read book Computational Methods in Neural Modeling written by José Mira and published by Springer. This book was released on 2003-08-03 with total page 781 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume set LNCS 2686 and LNCS 2687 constitute the refereed proceedings of the 7th International Work-Conference on Artificial and Natural Neural Networks, IWANN 2003, held in MaÃ3, Menorca, Spain in June 2003.The 197 revised papers presented were carefully reviewed and selected for inclusion in the book and address the following topics: mathematical and computational methods in neural modelling, neurophysiological data analysis and modelling, structural and functional models of neurons, learning and other plasticity phenomena, complex systems dynamics, cognitive processes and artificial intelligence, methodologies for net design, bio-inspired systems and engineering, and applications in a broad variety of fields.

Computational Methods for Macromolecules: Challenges and Applications

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Author : Tamar Schlick
Publisher : Springer Science & Business Media
ISBN 13 : 3642560806
Total Pages : 504 pages
Book Rating : 4.6/5 (425 download)

Book Synopsis Computational Methods for Macromolecules: Challenges and Applications by : Tamar Schlick

Download or read book Computational Methods for Macromolecules: Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.

Computational Modeling for Homogeneous and Enzymatic Catalysis

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Author : Keiji Morokuma
Publisher : John Wiley & Sons
ISBN 13 : 3527621970
Total Pages : 398 pages
Book Rating : 4.5/5 (276 download)

Book Synopsis Computational Modeling for Homogeneous and Enzymatic Catalysis by : Keiji Morokuma

Download or read book Computational Modeling for Homogeneous and Enzymatic Catalysis written by Keiji Morokuma and published by John Wiley & Sons. This book was released on 2008-04-09 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understanding catalysts. With its broad scope -- nitrogen fixation, polymerization, C-H bond activation, oxidations, biocatalysis and much more -- this book represents an extensive knowledge base for designing efficient catalysts, allowing readers to improve the performance of their own catalysts.

Quantum Tunnelling in Enzyme-catalysed Reactions

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Author : Rudolf K. Allemann
Publisher : Royal Society of Chemistry
ISBN 13 : 0854041222
Total Pages : 412 pages
Book Rating : 4.8/5 (54 download)

Book Synopsis Quantum Tunnelling in Enzyme-catalysed Reactions by : Rudolf K. Allemann

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.

Computational Structural Biology

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Author : Manuel Claude Peitsch
Publisher : World Scientific
ISBN 13 : 9812778772
Total Pages : 790 pages
Book Rating : 4.8/5 (127 download)

Book Synopsis Computational Structural Biology by : Manuel Claude Peitsch

Download or read book Computational Structural Biology written by Manuel Claude Peitsch and published by World Scientific. This book was released on 2008 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology.

Catalysis in Chemistry and Enzymology

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Author : William P. Jencks
Publisher : Courier Corporation
ISBN 13 : 9780486654607
Total Pages : 866 pages
Book Rating : 4.6/5 (546 download)

Book Synopsis Catalysis in Chemistry and Enzymology by : William P. Jencks

Download or read book Catalysis in Chemistry and Enzymology written by William P. Jencks and published by Courier Corporation. This book was released on 1987-01-01 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exceptionally clear coverage of mechanisms for catalysis, forces in aqueous solution, carbonyl- and acyl-group reactions, practical kinetics, more.

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

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Author : Adam Liwo
Publisher : Springer Science & Business Media
ISBN 13 : 3642285546
Total Pages : 809 pages
Book Rating : 4.6/5 (422 download)

Book Synopsis Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes by : Adam Liwo

Download or read book Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes written by Adam Liwo and published by Springer Science & Business Media. This book was released on 2013-07-17 with total page 809 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over the world, address the theory and practice of computer simulation techniques in the study of biological phenomena. The chapters are grouped into four thematic sections dealing with the following topics: the methodology of molecular simulations; applications of molecular simulations; bioinformatics methods and use of experimental information in molecular simulations; and selected applications of molecular quantum mechanics. The book includes an introductory chapter written by Harold A. Scheraga, one of the true pioneers in simulation studies of biomacromolecules.

Understanding Enzymes

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Author : Allan Svendsen
Publisher : CRC Press
ISBN 13 : 9814669334
Total Pages : 884 pages
Book Rating : 4.8/5 (146 download)

Book Synopsis Understanding Enzymes by : Allan Svendsen

Download or read book Understanding Enzymes written by Allan Svendsen and published by CRC Press. This book was released on 2016-04-27 with total page 884 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Enzymes: Function, Design, Engineering, and Analysis focuses on the understanding of enzyme function and optimization gained in the past decade, past enzyme function analysis, enzyme engineering, and growing insights from the simulation work and nanotechnology measurement of enzymes in action in vitro or in silico. The book also prese

Biomass, Biofuels, Biochemicals

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Author : Sudhir P. Singh
Publisher : Elsevier
ISBN 13 : 0128198214
Total Pages : 481 pages
Book Rating : 4.1/5 (281 download)

Book Synopsis Biomass, Biofuels, Biochemicals by : Sudhir P. Singh

Download or read book Biomass, Biofuels, Biochemicals written by Sudhir P. Singh and published by Elsevier. This book was released on 2020-04-03 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Enzyme Catalysis and Technologies intends to provide the basic structural and functional descriptions, and classification of enzymes. The scientific information related to the recombinant enzyme modifications, discovery of novel enzymes and development of synthetic enzymes are also presented. The translational aspects of enzyme catalysis and bioprocess technologies are illustrated, by emphasizing the current requirements and future perspectives of industrial biotechnology. Several case studies are included on enzymes for biofuels application, micro algal biorefineries, high-value bioactive molecules production and enzymes for environmental processes, such as enzymatic bioprocessing for functional food development, biocatalytic technologies for the production of functional sweetener, etc. - Provides a conceptual understanding of enzyme catalysis, enzyme engineering, discovery of novel enzymes, and technology perspectives - Includes comprehensive information about the inventions and advancement in enzyme system development for biomass processing and functional food developmental aspects - Gives an updated reference for education and understanding of enzyme technology

Computational Methods in Systems Biology

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Author : Corrado Priami
Publisher : Springer Science & Business Media
ISBN 13 : 3540006052
Total Pages : 224 pages
Book Rating : 4.5/5 (4 download)

Book Synopsis Computational Methods in Systems Biology by : Corrado Priami

Download or read book Computational Methods in Systems Biology written by Corrado Priami and published by Springer Science & Business Media. This book was released on 2003-02-07 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rovereto,December2002 CorradoPriami ProgrammeCommitteeofCMSB 2003 CorradoPriami(Chair),UniversityofTrento(Italy), CharlesAu?ray,CNRS,Villejuif(France), CosimaBaldari,Universit`adiSiena(Italy), AlexanderBockmayr,Universit ́eHenriPoincar ́e(France), LucaCardelli,MicrosoftResearchCambridge(UK), VincentDanos,Universit ́eParisVII(France), PierpaoloDegano,Universitad ` iPisa(Italy), Francois ̧ Fages,INRIA,Rocquencourt(France), DrabløsFinn,NorwegianUniversityofScienceandTechnology,Trondheim(N- way), MonikaHeiner,BrandenburgUniversityofTechnologyatCottbus(Germany), InaKoch,UniversityofAppliedSciencesBerlin,(Germany), JohnE.

Enzyme Catalysis in Organic Synthesis, 3 Volume Set

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Author : Karlheinz Drauz
Publisher : John Wiley & Sons
ISBN 13 : 3527325476
Total Pages : 2143 pages
Book Rating : 4.5/5 (273 download)

Book Synopsis Enzyme Catalysis in Organic Synthesis, 3 Volume Set by : Karlheinz Drauz

Download or read book Enzyme Catalysis in Organic Synthesis, 3 Volume Set written by Karlheinz Drauz and published by John Wiley & Sons. This book was released on 2012-03-26 with total page 2143 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive three-volume set is the standard reference in the field of organic synthesis, catalysis and biocatalysis. Edited by a highly experienced and highly knowledgeable team with a tremendous amount of experience in this field and its applications, this edition retains the successful concept of past editions, while the contents are very much focused on new developments in the field. All the techniques described are directly transferable from the lab to the industrial scale, making for a very application-oriented approach. A must for all chemists and biotechnologists.

Computational Approaches for Studying Enzyme Mechanism Part B

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Author :
Publisher : Academic Press
ISBN 13 : 0128111089
Total Pages : 538 pages
Book Rating : 4.1/5 (281 download)

Book Synopsis Computational Approaches for Studying Enzyme Mechanism Part B by :

Download or read book Computational Approaches for Studying Enzyme Mechanism Part B written by and published by Academic Press. This book was released on 2016-08-03 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches for Studying Enzyme Mechanism, Part B is the first of two volumes in the Methods in Enzymology series that focuses 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 the life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, genetics, and other fields of study. - 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

Enzyme Kinetics in Drug Metabolism

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Author : Swati Nagar
Publisher : Humana
ISBN 13 : 9781627037570
Total Pages : 0 pages
Book Rating : 4.0/5 (375 download)

Book Synopsis Enzyme Kinetics in Drug Metabolism by : Swati Nagar

Download or read book Enzyme Kinetics in Drug Metabolism written by Swati Nagar and published by Humana. This book was released on 2014-02-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug metabolism and transport are very important facets within the discipline of pharmaceutical sciences, with enzyme kinetic concepts utilized regularly in characterizing and modeling the disposition and elimination of drugs. Enzyme Kinetics in Drug Metabolism: Fundamentals and Applications focuses on very practical aspects of applying kinetic principles to drug metabolizing enzymes and transporters. Divided into five convenient sections, topics include the fundamental principles of enzyme kinetics, the kinetics of oxidative and conjugative drug metabolizing enzymes and drug transporters, modeling approaches for both drug metabolizing enzymes and transporters including novel systems biology approaches, understanding of variability both experimental and interindividual (pharmacogenomic), and case studies that provide real life examples of applying these principles. Written in the successful Methods in Molecular Biology series format, chapters include introductions to their respective topics especially suitable for the novice, in some cases step-by-step, readily reproducible protocols, and insights to help with troubleshooting and avoiding known pitfalls with extensive cross referencing to assist in learning. Authoritative and easily accessible, Enzyme Kinetics in Drug Metabolism: Fundamentals and Applications serves as a very practical teaching tool for novice, non-mathematically trained scientists interested in these fundamental concepts and as an aid for their supervisors in teaching these principles.

Computational Catalysis

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Author : Aravind Asthagiri
Publisher : Royal Society of Chemistry
ISBN 13 : 1849734518
Total Pages : 277 pages
Book Rating : 4.8/5 (497 download)

Book Synopsis Computational Catalysis by : Aravind Asthagiri

Download or read book Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.