Molecular Dynamics And Complexity In Catalysis And Biocatalysis

Author : Marco Piumetti
Publisher :
ISBN 13 : 9783030885014
Total Pages : 0 pages
Book Rating : 4.11/5 ( download)

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Download or read book Molecular Dynamics and Complexity in Catalysis and Biocatalysis written by Marco Piumetti and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conceptually coherent structure. In fact, molecular dynamics and complexity may occur in both catalysts and biocatalysts, with many similarities in both their structural configuration and operational mechanisms. Moreover, the interactions between the different components of the catalytic system that are important in defining the overall activity, including the nature of active sites are discussed. Each chapter includes end of chapter questions supported by an online instructor solution manual. This textbook will be useful for undergraduate and graduate chemistry and biochemistry students.

Author : Marco Piumetti
Publisher : Springer Nature
ISBN 13 : 3030885003
Total Pages : 154 pages
Book Rating : 4.07/5 ( download)

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Download or read book Molecular Dynamics and Complexity in Catalysis and Biocatalysis written by Marco Piumetti and published by Springer Nature. This book was released on 2022-01-01 with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conceptually coherent structure. In fact, molecular dynamics and complexity may occur in both catalysts and biocatalysts, with many similarities in both their structural configuration and operational mechanisms. Moreover, the interactions between the different components of the catalytic system that are important in defining the overall activity, including the nature of active sites are discussed. Each chapter includes end of chapter questions supported by an online instructor solution manual. This textbook will be useful for undergraduate and graduate chemistry and biochemistry students.

Author : Darrin M. York
Publisher : Springer Science & Business Media
ISBN 13 : 1402099568
Total Pages : 426 pages
Book Rating : 4.64/5 ( download)

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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 : Lutz H. Gade
Publisher : John Wiley & Sons
ISBN 13 : 3527673296
Total Pages : 632 pages
Book Rating : 4.92/5 ( download)

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Download or read book Molecular Catalysts written by Lutz H. Gade and published by John Wiley & Sons. This book was released on 2014-06-30 with total page 632 pages. Available in PDF, EPUB and Kindle. Book excerpt: Highlighting the key aspects and latest advances in the rapidly developing field of molecular catalysis, this book covers new strategies to investigate reaction mechanisms, the enhancement of the catalysts' selectivity and efficiency, as well as the rational design of well-defined molecular catalysts. The interdisciplinary author team with an excellent reputation within the community discusses experimental and theoretical studies, along with examples of improved catalysts, and their application in organic synthesis, biocatalysis, and supported organometallic catalysis. As a result, readers will gain a deeper understanding of the catalytic transformations, allowing them to adapt the knowledge to their own investigations. With its ideal combination of fundamental and applied research, this is an essential reference for researchers and graduate students both in academic institutions and in the chemical industry. With a foreword by Nobel laureate Roald Hoffmann.

Author : Rutger A. van Santen
Publisher : John Wiley & Sons
ISBN 13 : 3527608346
Total Pages : 488 pages
Book Rating : 4.48/5 ( download)

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Download or read book Molecular Heterogeneous Catalysis written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2009-06-10 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

Author : Andreas S. Bommarius
Publisher : John Wiley & Sons
ISBN 13 : 9783527303441
Total Pages : 648 pages
Book Rating : 4.48/5 ( download)

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Download or read book Biocatalysis written by Andreas S. Bommarius and published by John Wiley & Sons. This book was released on 2004-03-12 with total page 648 pages. Available in PDF, EPUB and Kindle. Book excerpt: The whole range of biocatalysis, from a firm grounding in theoretical concepts to in-depth coverage of practical applications and future perspectives. The book not only covers reactions, products and processes with and from biological catalysts, but also the process of designing and improving such biocatalysts. One unique feature is that the fields of chemistry, biology and bioengineering receive equal attention, thus addressing practitioners and students from all three areas.

Author : Pradeep Chhaya
Publisher : Springer Nature
ISBN 13 : 9819943183
Total Pages : 562 pages
Book Rating : 4.80/5 ( download)

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Download or read book The Topological Model of Genome and Evolution written by Pradeep Chhaya and published by Springer Nature. This book was released on with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Wolf-Dieter Fessner
Publisher : John Wiley & Sons
ISBN 13 : 3527623841
Total Pages : 400 pages
Book Rating : 4.46/5 ( download)

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Download or read book Modern Biocatalysis written by Wolf-Dieter Fessner and published by John Wiley & Sons. This book was released on 2008-12-03 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference covers the wide and rapidly growing field of biocatalysis. It combines complementary expertise from such areas as microbiology, enzymology, molecular biology structural biology and organic chemistry, thus highlighting the interdisciplinary nature of the subject. With its special focus on progress and new developments towards environmentally beneficial reactions with high levels of selectivity for the production of key compound classes, this book will enlighten both chemists and biologists as to the advances and opportunities existing in enzyme catalysis.

Author : Wuthrich Kurt
Publisher : World Scientific
ISBN 13 : 981323718X
Total Pages : 416 pages
Book Rating : 4.86/5 ( download)

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Download or read book Catalysis in Chemistry and Biology written by Wuthrich Kurt and published by World Scientific. This book was released on 2018-06-19 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Proceedings of the 24th International Solvay Conference on Chemistry comprise contributed short personal statements and transcripts of in-depth discussions on 'Catalysis in Chemistry and Biology' from a by-invitation-only select group of 48 eminent scientists, including four Nobel Laureates, from all parts of the world. The theme of the conference was presented in six sessions, along which the Proceedings are organized. The first session on 'Homogeneous Catalysis,' chaired by Professor Robert Grubbs, is devoted to basic research on catalysis in homogeneous solutions and applications thereof. 'Heterogeneous Catalysis and Characterization of Catalyst Surfaces,' chaired by Professor Gerhard Ertl, includes extensive references to industrial applications of catalysis on solid supports, and discussions on the experimental techniques used in this field. 'Catalysis by Microporous Materials,' chaired by Professor Mark E. Davis, is devoted to a detailed characterization of this particular class of solid support catalysts, with special emphasis on model analysis of the processes catalyzed by these materials. 'Catalysis under Extreme Conditions: Studies at High Pressure and High Temperatures -- Relations with Processes in Nature,' chaired by Professor Henk N W Lekkerkerker, broadens the scope of the two preceding sessions with exciting illustrations. The sessions on 'Catalysis by Protein Enzymes,' chaired by Prof. JoAnne Stubbe, and 'Catalysis by Ribozymes in Molecular Machines,' chaired by Prof. David Lilley, present at the same time an exciting extension of and a contrast to the initial four sessions. The combination of the six sessions provides an impressive overview, giving innovative insights into relationships between catalysis in chemical processes and in biological systems, and a unique outlook to anticipated developments in the coming years and the more distant future.

Author : Keiji Morokuma
Publisher : John Wiley & Sons
ISBN 13 : 3527621970
Total Pages : 398 pages
Book Rating : 4.72/5 ( download)

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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.