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Calculation Of Hydration Structures Of Proteins And Their Complexes
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Book Synopsis Water in Biological and Chemical Processes by : Biman Bagchi
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Book Synopsis Hydration Structures of Proteins by : Masayoshi Nakasako
Download or read book Hydration Structures of Proteins written by Masayoshi Nakasako and published by Springer Nature. This book was released on 2021-10-25 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes hydration structures of proteins by combining experimental results with theoretical considerations. It is designed to introduce graduate students and researchers to microscopic views of the interactions between water and biological macromolecules and to provide them with an overview of the field. Topics on protein hydration from the past 25 years are examined, most of which involve crystallography, fluorescence measurements, and molecular dynamics simulations. In X-ray crystallography and molecular dynamics simulations, recent advances have accelerated the study of hydration structures over the entire surface of proteins. Experimentally, crystal structure analysis at cryogenic temperatures is advantageous in terms of visualizing the positions of hydration water molecules on the surfaces of proteins in their frozen-hydrated crystals. A set of massive data regarding hydration sites on protein surfaces provides an appropriate basis, enabling us to identify statistically significant trends in geometrical characteristics. Trajectories obtained from molecular dynamics simulations illustrate the motion of water molecules in the vicinity of protein surfaces at sufficiently high spatial and temporal resolution to study the influences of hydration on protein motion. Together with the results and implications of these studies, the physical principles of the measurement and simulation of protein hydration are briefly summarized at an undergraduate level. Further, the author presents recent results from statistical approaches to characterizing hydrogen-bond geometry in local hydration structures of proteins. The book equips readers to better understand the structures and modes of interaction at the interface between water and proteins. Referred to as “hydration structures”, they are the subject of much discussion, as they may help to answer the question of why water is indispensable for life at the molecular and atomic level.
Book Synopsis Structure Computation and Dynamics in Protein NMR by : N. Rama Krishna
Download or read book Structure Computation and Dynamics in Protein NMR written by N. Rama Krishna and published by Springer Science & Business Media. This book was released on 2006-05-09 with total page 565 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 17 is the second in a special topic series devoted to modern techniques in protein NMR, under the Biological Magnetic Resonance series. Volume 16, with the subtitle Modern Techniques in Protein NMR , is the first in this series. These two volumes present some of the recent, significant advances in the biomolecular NMR field with emphasis on developments during the last five years. We are honored to have brought together in these volume some of the world s foremost experts who have provided broad leadership in advancing this field. Volume 16 contains - vances in two broad categories: I. Large Proteins, Complexes, and Membrane Proteins and II. Pulse Methods. Volume 17 contains major advances in: I. Com- tational Methods and II. Structure and Dynamics. The opening chapter of volume 17 starts with a consideration of some important aspects of modeling from spectroscopic and diffraction data by Wilfred van Gunsteren and his colleagues. The next two chapters deal with combined automated assignments and protein structure determination, an area of intense research in many laboratories since the traditional manual methods are often inadequate or laborious in handling large volumes of NMR data on large proteins. First, Werner Braun and his associates describe their experience with the NOAH/DIAMOD protocol developed in their laboratory.
Download or read book Molecular Biology of the Cell written by and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Hydrogen Bond Networks by : Marie-Claire Bellisent-Funel
Download or read book Hydrogen Bond Networks written by Marie-Claire Bellisent-Funel and published by Springer. This book was released on 2014-03-14 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Book Synopsis Hydration Processes in Biology by : Marie-Claire Bellissent-Funel
Download or read book Hydration Processes in Biology written by Marie-Claire Bellissent-Funel and published by IOS Press. This book was released on 1999 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interaction of water at organic surfaces or interfaces is of fundamental and technological interest and importance in chemistry, physics and biology. Progress towards an in-depth, molecular interpretation of the structure and dynamics of interfacial water needs a range of novel experimental and simulation techniques. We are now reaching the stage at which we understand, at the molecular level, the mutual perturbation at a macromolecule/water interface. The aims of this book are to provide with a comprehensive background to the properties of bulk water at the microscopic level and with a substantial account of the theoretical and experimental contributions which have been done to understand the role of water in various systems from some model systems to the more complex ones such as the biological systems.
Book Synopsis Protein-protein Complexes by : Martin Zacharias
Download or read book Protein-protein Complexes written by Martin Zacharias and published by World Scientific. This book was released on 2010 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Given the immense progress achieved in elucidating protein-protein complex structures and in the field of protein interaction modeling, there is great demand for a book that gives interested researchers/students a comprehensive overview of the field. This book does just that. It focuses on what can be learned about protein-protein interactions from the analysis of protein-protein complex structures and interfaces. What are the driving forces for protein-protein association? How can we extract the mechanism of specific recognition from studying protein-protein interfaces? How can this knowledge be used to predict and design protein-protein interactions (interaction regions and complex structures)? What methods are currently employed to design protein-protein interactions, and how can we influence protein-protein interactions by mutagenesis and small-molecule drugs or peptide mimetics?The book consists of about 15 review chapters, written by experts, on the characterization of protein-protein interfaces, structure determination of protein complexes (by NMR and X-ray), theory of protein-protein binding, dynamics of protein interfaces, bioinformatics methods to predict interaction regions, and prediction of protein-protein complex structures (docking and homology modeling of complexes, etcetera.) and design of protein-protein interactions. It serves as a bridge between studying/analyzing protein-protein complex structures (interfaces), predicting interactions, and influencing/designing interactions.
Book Synopsis Computational Chemistry Methods in Structural Biology by :
Download or read book Computational Chemistry Methods in Structural Biology written by and published by Academic Press. This book was released on 2011-09-13 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. - Essential resource for protein chemists - This volume features articles on Computational Chemistry methods in Structural Biology
Book Synopsis Protein Modules and Protein-Protein Interactions by :
Download or read book Protein Modules and Protein-Protein Interactions written by and published by Elsevier. This book was released on 2002-11-24 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein modules engage in a multitude of interactions with one another and with other cellular components, notably with DNA. These interactions are a central aspect of protein function of great relevance in the post-genomic era. This volume describes a panel of approaches for analyzing protein modules and their interactions, ranging from bioinformatics to physical chemistry, to biochemistry, with an emphasis on the structure-function relationship in protein-protein complexes involved in cellular processes including signal transduction. - Comprehensive overview of different facets of macromolecule interactions - Computational and bioinformatics aspects of analyzing protein modules and their interactions - Emphasis on structure-function relationship in protein-protein complexes involved in cellular processes
Book Synopsis NMR in Structural Biology by : Kurt Wthrich
Download or read book NMR in Structural Biology written by Kurt Wthrich and published by World Scientific. This book was released on 1995 with total page 770 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volume presents a survey of the research by Kurt Wthrich and his associates during the period 1965 to 1994. A selection of reprints of original papers on the use of NMR spectroscopy in structural biology is supplemented with an introduction, which outlines the foundations and the historical development of the use of NMR spectroscopy for the determination of three-dimensional structures of biological macromolecules in solution. The original papers are presented in groups highlighting protein structure determination by NMR, studies of dynamic properties and hydration of biological macromolecules, and practical applications of the NMR methodology in fields such as enzymology, transcriptional regulation, immunosuppression and protein folding.
Book Synopsis Fragmentation: Toward Accurate Calculations on Complex Molecular Systems by : Mark S. Gordon
Download or read book Fragmentation: Toward Accurate Calculations on Complex Molecular Systems written by Mark S. Gordon and published by John Wiley & Sons. This book was released on 2017-08-04 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Book Synopsis Quantum Modeling of Complex Molecular Systems by : Jean-Louis Rivail
Download or read book Quantum Modeling of Complex Molecular Systems written by Jean-Louis Rivail and published by Springer. This book was released on 2015-10-13 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Book Synopsis Handbook of Property Estimation Methods for Chemicals by : Donald Mackay
Download or read book Handbook of Property Estimation Methods for Chemicals written by Donald Mackay and published by CRC Press. This book was released on 2000-03-29 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: A complete restructuring and updating of the classic 1982 Handbook of Chemical Property Estimation Methods (commonly known as "Lyman's Handbook"), the Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences reviews and recommends practical methods for estimating environmentally important properties of organic chemic
Book Synopsis Biomolecules in Organic Solvents by : Armando Gomez-Puyou
Download or read book Biomolecules in Organic Solvents written by Armando Gomez-Puyou and published by CRC Press. This book was released on 1992-01-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biomolecules and Organic Solvents discusses the behavior of enzymes and multi-enzyme complexes in organic solvents, in addition to the problem of water-protein interactions and the characteristics of water at interphases. It attempts to bridge the gap between the all water and the organic solvents systems from the point of view of enzyme structure and function. The mechanism of action of enzymes dispersed in anhydrous organic solvents and the biotechnological perspectives of the field are evaluated, and new information regarding the function and characteristics of complex multi-enzymatic systems and whole cells in organic solvents are examined. New developments regarding the nature of the water pool and interphases of reverse micelles and their enzyme kinetics are also explored. The characteristics and properties of enzymes trapped in reverse micelles are discussed throughout the book. Biomolecules in Organic Solvents is essential reading for biochemists, molecular biologists, and others working in related fields.
Book Synopsis Physical Chemistry for the Biological Sciences by : Gordon G. Hammes
Download or read book Physical Chemistry for the Biological Sciences written by Gordon G. Hammes and published by John Wiley & Sons. This book was released on 2015-04-10 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to physical chemistry that is directed toward applications to the biological sciences. Advanced mathematics is not required. This book can be used for either a one semester or two semester course, and as a reference volume by students and faculty in the biological sciences.
Book Synopsis Cytochrome Complexes: Evolution, Structures, Energy Transduction, and Signaling by : William A. Cramer
Download or read book Cytochrome Complexes: Evolution, Structures, Energy Transduction, and Signaling written by William A. Cramer and published by Springer. This book was released on 2016-06-14 with total page 763 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction that describes the origin of cytochrome notation also connects to the history of the field, focusing on research in England in the pre-World War II era. The start of the modern era of studies on structure-function of cytochromes and energy-transducing membrane proteins was marked by the 1988 Nobel Prize in Chemistry, given to J. Deisenhofer, H. Michel, and R. Huber for determination of the crystal structure of the bacterial photosynthetic reaction center. An ab initio logic of presentation in the book discusses the evolution of cytochromes and hemes, followed by theoretical perspectives on electron transfer in proteins and specifically in cytochromes. There is an extensive description of the molecular structures of cytochromes and cytochrome complexes from eukaryotic and prokaryotic sources, bacterial, plant and animal. The presentation of atomic structure information has a major role in these discussions, and makes an important contribution to the broad field of membrane protein structure-function.
Book Synopsis Computational and Structural Approaches to Drug Discovery by : Robert M. Stroud
Download or read book Computational and Structural Approaches to Drug Discovery written by Robert M. Stroud and published by Royal Society of Chemistry. This book was released on 2008 with total page 171 pages. Available in PDF, EPUB and Kindle. Book excerpt: This insightful book represents the experience and understanding of the global experts in the field and spotlights both the structural and medicinal chemistry aspects of drug design. The need to 'encode' the physiological factors of pharmacology, a key area, is explored.
