Biomolecular Simulations, Massimiliano Bonomi; Carlo Camilloni
Автор: Massimiliano Bonomi; Carlo Camilloni Название: Biomolecular Simulations ISBN: 149399607X ISBN-13(EAN): 9781493996070 Издательство: Springer Рейтинг: Цена: 25155.00 р. Наличие на складе: Нет в наличии.
Описание:
This volume explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical molecular dynamics (MD) simulations at atomistic, coarse-grained, and quantum/ab-initio levels. The chapters in this book are divided into four parts: Part One looks at recent techniques used in the development of physic-chemical models of proteins, small molecules, nucleic acids, and lipids; Part Two discusses enhanced sampling and free-energy calculations; Part Three talks about integrative computational and experimental approaches for biomolecular simulations; and Part Four focuses on analyzing, visualizing, and comparing biomolecular simulations. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.
Cutting-edge and comprehensive, Biomolecular Simulations: Methods and Protocols is a valuable resource for both novice and expert researchers who are interested in studying different areas of biomolecular simulations, and discovering new tools to progress their future projects.
Описание: Understanding the functions and properties of molecules in living systems requires a detailed knowledge of their three-dimensional structures and the conformational variability that allows them to adopt multiple functional forms. Interpreting biological systems in the language of three-dimensional structures is of fundamental importance and innumerable research groups around the world are working in this area. This book is a compilation of articles describing attempts at understanding the intricacies of biological systems through the structures of and interactions between their constituent molecules.
Автор: Luca Monticelli; Emppu Salonen Название: Biomolecular Simulations ISBN: 1493958917 ISBN-13(EAN): 9781493958917 Издательство: Springer Рейтинг: Цена: 27950.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methodological developments, which rarely find coverage in traditional textbooks, is also introduced. Written in the highly successful Methods in Molecular Biology series format, chapters include general introductions to well-established computational methodologies, applications to real-world biological systems, as well as practical tips and general protocols on carrying out biomolecular simulations. Special emphasis is placed on simulations of proteins, lipids, nucleic acids, and carbohydrates. Authoritative and practical, Biomolecular Simulations: Methods and Protocols seeks to aid scientists in further simulation studies of biological systems.
Автор: Fern?ndez Название: Physics at the Biomolecular Interface ISBN: 3319308513 ISBN-13(EAN): 9783319308517 Издательство: Springer Рейтинг: Цена: 20896.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This bookfocuses primarily on the role of interfacial forces in understanding biologicalphenomena at the molecular scale. By providing a suitable statisticalmechanical apparatus to handle the biomolecular interface, the book becomesuniquely positioned to address core problems in molecular biophysics. Ithighlights the importance of interfacial tension in delineating a solution tothe protein folding problem, in unravelling the physico-chemical basis ofenzyme catalysis and protein associations, and in rationally designingmolecular targeted therapies. Thus grounded in fundamental science, the bookdevelops a powerful technological platform for drug discovery, while it is setto inspire scientists at any level in their careers determined to address themajor challenges in molecular biophysics.Theacknowledgment of how exquisitely the structure and dynamics of proteins and theiraqueous environment are related attests to the overdue recognition thatbiomolecular phenomena cannot be effectively understood without dealing withinterfacial behaviour. There is an urge to grasp how biologically relevantbehaviour is shaped by the structuring of biomolecular interfaces and howinterfacial tension affects the molecular events that take place in the cell.This book squarely addresses these needs from a physicist perspective.Thebook may serve as a monograph for practitioners and, alternatively, as anadvanced textbook. Fruitful reading requires a background in physical chemistryand some basics in biophysics. The selected problems at the end of the chaptersand the progression in conceptual difficulty make it a suitable textbook for agraduate level course or an elective course for seniors majoring in chemistry,physics, biomedical engineering or related disciplines.
Описание: This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.
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