Автор: Fuxreiter Название: Computational Approaches To Protein ISBN: 1466561572 ISBN-13(EAN): 9781466561571 Издательство: Taylor&Francis Рейтинг: Цена: 33686.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
The Latest Developments on the Role of Dynamics in Protein Functions
Computational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, and biology show how these advanced methods provide insights into dynamic aspects of biochemical processes. A particular focus is on intrinsically disordered proteins (IDPs), which lack a well-defined three-dimensional structure and function as dynamic ensembles.
The book covers a wide spectrum of dynamics, from electronic structure-based to coarse-grained techniques via multiscaling at different levels. After an introduction to dynamics and historical overview of basic methodologies, the book addresses the following issues:
Is there a quantitative relationship between enzymatic catalysis and protein dynamics?
Which are the functionally relevant motions of proteins?
How can structural properties and partner recognition mechanisms of IDPs be simulated?
How can we speed up molecular dynamics?
How can we describe conformational ensembles by the synergistic effort of computations and experiments?
While dynamics is now considered essential for interpreting protein action, it is not yet an integral component in establishing structure-function relationships of proteins. Helping to reshape this classical view in biochemistry, this groundbreaking book explores advances in computational methodology and contributes to the new, ensemble way of studying proteins.
Описание: Written by the author of "HPLC: A Practical Guide" (RSC, 1999),this book presents the possibilities for characterising biological applications by combining analytical and computational chemistries.
Автор: Taku Onishi Название: Quantum Computational Chemistry ISBN: 9811059322 ISBN-13(EAN): 9789811059322 Издательство: Springer Рейтинг: Цена: 18294.00 р. Наличие на складе: Нет в наличии.
Описание:
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
Автор: Bromley, Stefan Название: Computational Modelling of Nanoparticles ISBN: 0081022328 ISBN-13(EAN): 9780081022320 Издательство: Elsevier Science Рейтинг: Цена: 25265.00 р. Наличие на складе: Нет в наличии.
Описание:
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties.
This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research.
Explores how computational modelling can be successfully applied at the nanoscale level
Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters
Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Автор: Domene Carmen Название: Computational Biophysics of Membrane Proteins ISBN: 1782624902 ISBN-13(EAN): 9781782624905 Издательство: Royal Society of Chemistry Рейтинг: Цена: 28354.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Exploring current themes in modern computational and membrane protein biophysics, this book is ideal for researchers in computational chemistry and computational biophysics.
Описание: An overview of the latest techniques for studying intermolecular interactions in crystalline matter.
Автор: Johnson Darren W., Hof Fraser, Gale Philip Название: Aromatic Interactions: Frontiers in Knowledge and Application ISBN: 1782624171 ISBN-13(EAN): 9781782624172 Издательство: Royal Society of Chemistry Рейтинг: Цена: 25186.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book provides a wide ranging survey of the latest findings and advances surrounding aromatic interactions, from the fundamentals to modern applications.
Автор: Thompson Michael, Blaszykowski Christophe, Sheikh Название: Biological Fluid-Surface Interactions in Detection and Medical Devices ISBN: 1782620974 ISBN-13(EAN): 9781782620976 Издательство: Royal Society of Chemistry Рейтинг: Цена: 25186.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book examines the interactions between implants and biological fluids that cause fouling in biosensors and the serious issue of thrombus formation suitable for professional researchers in academia and industry and postgraduate students.
Автор: Otero de la Roza, Alberto Название: Non-covalent Interactions in Quantum Chemistry and Physics ISBN: 012809835X ISBN-13(EAN): 9780128098356 Издательство: Elsevier Science Рейтинг: Цена: 33013.00 р. Наличие на складе: Нет в наличии.
Описание:
Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications.
The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques.
Описание: This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.
Название: Protein Modelling ISBN: 3319099752 ISBN-13(EAN): 9783319099750 Издательство: Springer Рейтинг: Цена: 15855.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.
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