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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 :
Publisher : Academic Press
ISBN 13 : 0128053631
Total Pages : 560 pages
Book Rating : 4.1/5 (28 download)
Download or read book Computational Approaches for Studying Enzyme Mechanism Part A written by and published by Academic Press. This book was released on 2016-08-04 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Gábor Náray-Szabó
Publisher : Springer Science & Business Media
ISBN 13 : 0306469340
Total Pages : 386 pages
Book Rating : 4.3/5 (64 download)
Download or read book Computational Approaches to Biochemical Reactivity written by Gábor Náray-Szabó and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Committee on Mathematical Challenges from Computational Chemistry
Publisher : National Academies Press
ISBN 13 : 0309560640
Total Pages : 144 pages
Book Rating : 4.3/5 (95 download)
Download or read book Mathematical Challenges from Theoretical/Computational Chemistry written by Committee on Mathematical Challenges from Computational Chemistry and published by National Academies Press. This book was released on 1995-04-12 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
Author : Ilan Samish
Publisher : Humana
ISBN 13 : 9781493966356
Total Pages : 0 pages
Book Rating : 4.9/5 (663 download)
Download or read book Computational Protein Design written by Ilan Samish and published by Humana. This book was released on 2016-12-03 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim this volume is to present the methods, challenges, software, and applications of this widespread and yet still evolving and maturing field. Computational Protein Design, the first book with this title, guides readers through computational protein design approaches, software and tailored solutions to specific case-study targets. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Protein Design aims to ensure successful results in the further study of this vital field.
Author : Darrin M. York
Publisher : Springer Science & Business Media
ISBN 13 : 1402099568
Total Pages : 426 pages
Book Rating : 4.4/5 (2 download)
Download or read book Multi-scale Quantum Models for Biocatalysis written by Darrin M. York and published by Springer Science & Business Media. This book was released on 2009-05-30 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: “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 : Sonsoles Martín-Santamaría
Publisher : Royal Society of Chemistry
ISBN 13 : 1782627006
Total Pages : 392 pages
Book Rating : 4.7/5 (826 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 2017-11-01 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Author :
Publisher : Academic Press
ISBN 13 : 0123983185
Total Pages : 473 pages
Book Rating : 4.1/5 (239 download)
Download or read book Structural and Mechanistic Enzymology written by and published by Academic Press. This book was released on 2012-10-22 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: Both strategies for investigation (computational and experimental) in structural and mechanistic Enzymology have developed to some extent independently. However, over the last few years a trend has emerged for strengthening their integration. This combination not only brings together computations and experiments focused on the same enzymatic problems, but also provides complementary insights into the investigated properties and has a powerful synergy effect. This thematic volume of Advances in Protein Chemistry and Structural Biology focuses on the recent success in structural and mechanistic enzymology and has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches. The selected contributions demonstrate how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design. Focuses on the recent success in structural and mechanistic enzymology Has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches Demonstrates how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design
Author : Steven M. Bachrach
Publisher : John Wiley & Sons
ISBN 13 : 1118671228
Total Pages : 653 pages
Book Rating : 4.1/5 (186 download)
Download or read book Computational Organic Chemistry written by Steven M. Bachrach and published by John Wiley & Sons. This book was released on 2014-03-03 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.
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.
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Publisher : Elsevier
ISBN 13 : 0443186723
Total Pages : 196 pages
Book Rating : 4.4/5 (431 download)
Download or read book New Horizons in Modern Catalysis: Five Different Perspectives written by and published by Elsevier. This book was released on 2023-11-24 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Horizons in Modern Catalysis: Six Different Perspectives, Volume 72 in the Advances in Catalysis series, highlights new advances in the field, with this new volume presenting interesting chapters on Carbanion-functionalized phosphines: New design elements for catalyst development, Molecular Electrocatalysts for Organic Electrosynthesis, Mechanistic aspects of secondary sphere modification in organocatalysis, Earth-Abundant Transition Metal-Catalyzed reactions with Iodine(III) reagents: from catalysis to mechanistic studies, Design of metal nanoparticles for better performance in catalysis, and Computational design of industrially relevant enzymes. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Catalysis series Acts as a comprehensive platform for experimental and theoretical researchers
Author : N.S. Punekar
Publisher : Springer
ISBN 13 : 9811307857
Total Pages : 560 pages
Book Rating : 4.8/5 (113 download)
Download or read book ENZYMES: Catalysis, Kinetics and Mechanisms written by N.S. Punekar and published by Springer. This book was released on 2018-11-11 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: This enzymology textbook for graduate and advanced undergraduate students covers the syllabi of most universities where this subject is regularly taught. It focuses on the synchrony between the two broad mechanistic facets of enzymology: the chemical and the kinetic, and also highlights the synergy between enzyme structure and mechanism. Designed for self-study, it explains how to plan enzyme experiments and subsequently analyze the data collected. The book is divided into five major sections: 1] Introduction to enzymes, 2] Practical aspects, 3] Kinetic Mechanisms, 4] Chemical Mechanisms, and 5] Enzymology Frontiers. Individual concepts are treated as stand-alone chapters; readers can explore any single concept with minimal cross-referencing to the rest of the book. Further, complex approaches requiring specialized techniques and involved experimentation (beyond the reach of an average laboratory) are covered in theory with suitable references to guide readers. The book provides students, researchers and academics in the broad area of biology with a sound theoretical and practical knowledge of enzymes. It also caters to those who do not have a practicing enzymologist to teach them the subject.
Author : Geoffrey Ryan Nosrati
Publisher :
ISBN 13 :
Total Pages : 147 pages
Book Rating : 4.:/5 (827 download)
Download or read book Computational Methods for Analysis and Redesign of Enzyme Active Sites written by Geoffrey Ryan Nosrati and published by . This book was released on 2012 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rational design of enzymes and understanding of enzyme mechanisms both present a tremendous challenge in terms of both computational and experimental methodologies. In this work, we review the current state-of-the-art techniques in enzyme design and present a new computational method for active site redesign, called SABER (Selection of Active/Binding sites for Enzyme Redesign). This program was used to analyze both an existing enzyme redesign from the literature, o-succinyl benzoate synthase, and to predict new scaffolds that might be redesigned function similarly to a designed Kemp elimination enzyme. The logic behind the program is discussed in detail with examples taken from the code. Next, SABER was applied to the problem of predicting catalytic functionality in enzyme active sites. This methodology was used to analyze the active sites from two well-studied enzyme families, the serine proteases and the tyrosine phosphatases, and was found to predict catalytic function with high accuracy. It was then used to analyze the active site of orotidine 5'-monophosphate decarboxylase, an enzyme with an unknown mechanism, and used to support of an imminium-based mechanism of catalysis. Finally, a very challenging rational enzyme design process to catalyze an aromatic Claisen rearrangement is discussed. This led to the design and synthesis of six enzymes, none of which showed any rate acceleration versus the background reaction. During this work, an aromatic Claisen substrate that rearranges rapidly in water was discovered and characterized. This was used to highlight the difficulties in both the enzyme design process and in prediction of hydrogen-bond catalyzed reaction rates in water.
Author : Kurt Wuthrich
Publisher : World Scientific
ISBN 13 : 9811282331
Total Pages : 550 pages
Book Rating : 4.8/5 (112 download)
Download or read book Chemistry Challenges Of The 21st Century - Proceedings Of The 100th Anniversary Of The 26th International Solvay Conference On Chemistry written by Kurt Wuthrich and published by World Scientific. This book was released on 2023-12-28 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Feringa (Nobel Laureate in Chemistry, 2016), this by-invitation-only conference gathered around 40 participants, who are well-recognized leaders in the diverse field of Chemistry. The highlights of the Conference Proceedings include short prepared statements by all the participants, and the recordings of lively discussions on the current and future perspectives in the field of chemistry, with topics ranging from renewable energy and new materials to vaccines.
Author :
Publisher : ScholarlyEditions
ISBN 13 : 1464963290
Total Pages : 10508 pages
Book Rating : 4.4/5 (649 download)
Download or read book Issues in Chemistry and General Chemical Research: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 10508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Author : Chérif F. Matta
Publisher : John Wiley & Sons
ISBN 13 : 352762922X
Total Pages : 978 pages
Book Rating : 4.5/5 (276 download)
Download or read book Quantum Biochemistry written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2010-01-14 with total page 978 pages. Available in PDF, EPUB and Kindle. Book excerpt: Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
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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
