Potential Of Mean Force Description Of Ionic Interactions And Structural Hydration In Biomolecular Systems

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Potential-of-mean-force Description of Ionic Interactions and Structural Hydration in Biomolecular Systems

Author :
Publisher :
ISBN 13 :
Total Pages : 18 pages
Book Rating : 4.:/5 (682 download)

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Book Synopsis Potential-of-mean-force Description of Ionic Interactions and Structural Hydration in Biomolecular Systems by :

Download or read book Potential-of-mean-force Description of Ionic Interactions and Structural Hydration in Biomolecular Systems written by and published by . This book was released on 1994 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt: To understand the functioning of living organisms on a molecular level, it is crucial to dissect the intricate interplay of the immense number of biological molecules. Most of the biochemical processes in cells occur in a liquid environment formed mainly by water and ions. This solvent environment plays an important role in biological systems. The potential-of-mean-force (PMF) formalism attempts to describe quantitatively the interactions of the solvent with biological macromolecules on the basis of an approximate statistical-mechanical representation. At its current status of development, it deals with ionic effects on the biomolecular structure and with the structural hydration of biomolecules. The underlying idea of the PMF formalism is to identify the dominant sources of interactions and incorporate these interactions into the theoretical formalism using PMF's (or particle correlation functions) extracted from bulk-liquid systems. In the following, the authors shall briefly outline the statistical-mechanical foundation of the PMF formalism and introduce the PMF expansion formalism, which is intimately linked to superposition approximations for higher-order particle correlation functions. The authors shall then sketch applications, which describe the effects of the ionic environment on nucleic-acid structure. Finally, the authors shall present the more recent extension of the PMF idea to describe quantitatively the structural hydration of biomolecules. Results for the interface of ice and water and for the hydration of deoxyribonucleic acid (DNA) will be discussed.

Nonlinear Excitations in Biomolecules

Author : Michel Peyrard
Publisher : Springer Science & Business Media
ISBN 13 : 3662089947
Total Pages : 428 pages
Book Rating : 4.6/5 (62 download)

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Book Synopsis Nonlinear Excitations in Biomolecules by : Michel Peyrard

Download or read book Nonlinear Excitations in Biomolecules written by Michel Peyrard and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last few years, hopes have emerged that simple concepts could perhaps explain the extremely complicated biomolecular processes which are known to a greater and greater accuracy thanks to the extraordinary progress of biology. In parallel, powerful methods in physics, especially nonlinearity and cooperative effects, have been developed. They apply especially to biological phenomena and can explain coherent excitations with remarkable properties. This book provides a pedagogical introduction to the theory of nonlinear excitations and solitons in a biological environment, and also to the structure and function of biomolecules as well as energy and charge transport in biophysics.

Hydration Processes in Biology

Author : Marie-Claire Bellissent-Funel
Publisher : IOS Press
ISBN 13 : 9789051994391
Total Pages : 456 pages
Book Rating : 4.9/5 (943 download)

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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.

Scientific and Technical Aerospace Reports

Author :
Publisher :
ISBN 13 :
Total Pages : 994 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Scientific and Technical Aerospace Reports by :

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 994 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Neutrons in Biology

Author : Benno P. Schoenborn
Publisher : Springer Science & Business Media
ISBN 13 : 1461558476
Total Pages : 453 pages
Book Rating : 4.4/5 (615 download)

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Book Synopsis Neutrons in Biology by : Benno P. Schoenborn

Download or read book Neutrons in Biology written by Benno P. Schoenborn and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: This compendium presents some of the major applications of neutron scattering techniques to problems in biology. It is a record of the papers presented at the Neutrons in Biology Conference, the third in an occasional series held to highlight progress in the field and to provide a focus for future direction. The strength ofthe neutron scattering technique remains principally in the manipula tion of scattering density through hydrogen and deuterium atoms. The development ofad vanced detectors, innovative instrument and beamline components, and sophisticated data acquisition systems through the 1970s and early 1980s provided a sound foundation for the technique. With continued development, some of the exotic and expensive equipment has become affordable by the medium-sized facilities, thereby broadening the user base considerably. Despite problems with the major neutron sources in the late 1980s and early 1990s, some spectacular results have been achieved. Whilst the high and medium flux beam reac tors will continue to make a major impact in the field, the results from the first experi ments, and the planned developments on spallation neutron sources, clearly indicate that the technique has enormous potential.

Equilibria and Kinetics of Biological Macromolecules

Author : Prof. Jan Hermans
Publisher : John Wiley & Sons
ISBN 13 : 1118733770
Total Pages : 411 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Equilibria and Kinetics of Biological Macromolecules by : Prof. Jan Hermans

Download or read book Equilibria and Kinetics of Biological Macromolecules written by Prof. Jan Hermans and published by John Wiley & Sons. This book was released on 2013-10-22 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progressively builds a deep understanding of macromolecular behavior Based on each of the authors' roughly forty years of biophysics research and teaching experience, this text instills readers with a deep understanding of the biophysics of macromolecules. It sets a solid foundation in the basics by beginning with core physical concepts such as thermodynamics, quantum chemical models, molecular structure and interactions, and water and the hydrophobic effect. Next, the book examines statistical mechanics, protein-ligand binding, and conformational stability. Finally, the authors address kinetics and equilibria, exploring underlying theory, protein folding, and stochastic models. With its strong emphasis on molecular interactions, Equilibria and Kinetics of Biological Macromolecules offers new insights and perspectives on proteins and other macromolecules. The text features coverage of: Basic theory, applications, and new research findings Related topics in thermodynamics, quantum mechanics, statistical mechanics, and molecular simulations Principles and applications of molecular simulations in a dedicated chapter and interspersed throughout the text Macromolecular binding equilibria from the perspective of statistical mechanics Stochastic processes related to macromolecules Suggested readings at the end of each chapter include original research papers, reviews and monographs, enabling readers to explore individual topics in greater depth. At the end of the text, ten appendices offer refreshers on mathematical treatments, including probability, computational methods, Poisson equations, and defining molecular boundaries. With its classroom-tested pedagogical approach, Equilibria and Kinetics of Biological Macromolecules is recommended as a graduate-level textbook for biophysics courses and as a reference for researchers who want to strengthen their understanding of macromolecular behavior.

Physico-Chemical and Computational Approaches to Drug Discovery

Author : Javier Luque
Publisher : Royal Society of Chemistry
ISBN 13 : 1849735379
Total Pages : 443 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Physico-Chemical and Computational Approaches to Drug Discovery by : Javier Luque

Download or read book Physico-Chemical and Computational Approaches to Drug Discovery written by Javier Luque and published by Royal Society of Chemistry. This book was released on 2012-03-31 with total page 443 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling and simulation play a central role in academic and industrial research focused on physico-chemical properties and processes. The efforts carried out in this field have crystallized in a variety of models, simulation methods, and computational techniques that are examining the relationship between the structure, dynamics and functional role of biomolecules and their interactions. In particular, there has been a huge advance in the understanding of the molecular determinants that mediate the interaction between small compounds acting as ligands and their macromolecular targets. This book provides an updated description of the advances experienced in recent years in the field of molecular modeling and simulation of biomolecular recognition, with particular emphasis towards the development of efficient strategies in structure-based drug design.

Energy Research Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 714 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Energy Research Abstracts by :

Download or read book Energy Research Abstracts written by and published by . This book was released on 1995 with total page 714 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Government Reports Announcements & Index

Author :
Publisher :
ISBN 13 :
Total Pages : 850 pages
Book Rating : 4.3/5 (129 download)

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Book Synopsis Government Reports Announcements & Index by :

Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1995 with total page 850 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computation of Biomolecular Structures

Author : Dikeos M. Soumpasis
Publisher : Springer Science & Business Media
ISBN 13 : 3642777988
Total Pages : 250 pages
Book Rating : 4.6/5 (427 download)

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Book Synopsis Computation of Biomolecular Structures by : Dikeos M. Soumpasis

Download or read book Computation of Biomolecular Structures written by Dikeos M. Soumpasis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational techniques have become an indispensable part of Molecular Biology, Biochemistry, and Molecular Design. In conjunction with refined experimental methods and powerful hardware, they enable us to analyze and visualize biomolecular structures, simulate their motions and to a variable degree understand their physicochemical properties and function. In addition, they provide essentially the only way to analyze and correlate the astronomical amounts of experimental sequence and structural data accumulating in international databases. We have good reasons to believe that further advances in this area will eventually enable us to predict with sufficient accuracy many structural and functional properties of fairly large biomolecules, given their sequence and specified environmental conditions. However, it is also important to realize that in achieving this goal, we encounter several serious problems of conceptual and methodological nature, the solution of which requires new approaches and algorithms. For example, we need better force fields, more efficient optimization routines, an adequate description of electrostatics and hydration, reliable methods to compute free energies, and ways to extent the length of molecular dynamics simulations by several orders of magnitude.

The Role of Water in Structural Transitions of Biophysical Systems [microform]

Author : Susan A. (Susan Angela) Csiszar
Publisher : Library and Archives Canada = Bibliothèque et Archives Canada
ISBN 13 : 9780494024546
Total Pages : 108 pages
Book Rating : 4.0/5 (245 download)

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Book Synopsis The Role of Water in Structural Transitions of Biophysical Systems [microform] by : Susan A. (Susan Angela) Csiszar

Download or read book The Role of Water in Structural Transitions of Biophysical Systems [microform] written by Susan A. (Susan Angela) Csiszar and published by Library and Archives Canada = Bibliothèque et Archives Canada. This book was released on 2005 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt: A discontinuous molecular dynamics (DMD) simulation of water is presented in order to form the basis for a future investigation of solvent effects in biomolecular systems. The structure and folding of a solvated protein is partly determined by the interactions of the protein molecules with the water molecules. In order to create a reasonable model of a protein's folding and structure, solvent effects need to be explicitly included. To date these solvent effects have been studied using continuous potential molecular dynamics (MD) models that describe the interactions in the system. MD models can be quite computationally demanding for large systems or long time scales and we have devised a new water model using DMD which is more efficient than continuous MD methods. The goals of our approach are to describe the local structure and thermodynamics of water in a semi-quantitative fashion.

Springer Handbook of Electrochemical Energy

Author : Cornelia Breitkopf
Publisher : Springer
ISBN 13 : 3662466570
Total Pages : 1019 pages
Book Rating : 4.6/5 (624 download)

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Book Synopsis Springer Handbook of Electrochemical Energy by : Cornelia Breitkopf

Download or read book Springer Handbook of Electrochemical Energy written by Cornelia Breitkopf and published by Springer. This book was released on 2016-12-05 with total page 1019 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive handbook covers all fundamentals of electrochemistry for contemporary applications. It provides a rich presentation of related topics of electrochemistry with a clear focus on energy technologies. It covers all aspects of electrochemistry starting with theoretical concepts and basic laws of thermodynamics, non-equilibrium thermodynamics and multiscale modeling. It further gathers the basic experimental methods such as potentiometry, reference electrodes, ion-sensitive electrodes, voltammetry and amperometry. The contents cover subjects related to mass transport, the electric double layer, ohmic losses and experimentation affecting electrochemical reactions. These aspects of electrochemistry are especially examined in view of specific energy technologies including batteries, polymer electrolyte and biological fuel cells, electrochemical capacitors, electrochemical hydrogen production and photoelectrochemistry. Organized in six parts, the overall complexity of electrochemistry is presented and makes this handbook an authoritative reference and definitive source for advanced students, professionals and scientists particularly interested in industrial and energy applications.

Annual Report

Author : National Institute of General Medical Sciences (U.S.)
Publisher :
ISBN 13 :
Total Pages : 120 pages
Book Rating : 4.M/5 ( download)

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Book Synopsis Annual Report by : National Institute of General Medical Sciences (U.S.)

Download or read book Annual Report written by National Institute of General Medical Sciences (U.S.) and published by . This book was released on 1988 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Annual Report - National Institute of General Medical Sciences

Author : National Institute of General Medical Sciences (U.S.)
Publisher :
ISBN 13 :
Total Pages : 120 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Annual Report - National Institute of General Medical Sciences by : National Institute of General Medical Sciences (U.S.)

Download or read book Annual Report - National Institute of General Medical Sciences written by National Institute of General Medical Sciences (U.S.) and published by . This book was released on 1982 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Hydrogen Bond Networks

Author : Marie-Claire Bellisent-Funel
Publisher : Springer
ISBN 13 : 9789401583336
Total Pages : 558 pages
Book Rating : 4.5/5 (833 download)

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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.

Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events

Author : Fabio Trovato
Publisher : Frontiers Media SA
ISBN 13 : 2889740250
Total Pages : 322 pages
Book Rating : 4.8/5 (897 download)

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Book Synopsis Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events by : Fabio Trovato

Download or read book Combining Simulations, Theory, and Experiments into Multiscale Models of Biological Events written by Fabio Trovato and published by Frontiers Media SA. This book was released on 2022-01-11 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Na Channels from Phyla to Function

Author :
Publisher : Academic Press
ISBN 13 : 012809253X
Total Pages : 680 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Na Channels from Phyla to Function by :

Download or read book Na Channels from Phyla to Function written by and published by Academic Press. This book was released on 2016-08-29 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: Na Channels from Phyla to Function, the latest volume in the Current Topics in Membranes series, is targeted toward scientists and researchers in biochemistry and molecular and cellular biology, providing the necessary membrane research to assist them in discovering the current state of a particular field and in learning where that field is heading. This volume offers an up-to-date presentation of the current knowledge in the field of Na Channels. Written by leading experts in the field of Na Channels Contains original material, both textual and illustrative, that make it a very relevant reference Presented in a very comprehensive manner Both researchers in the field and general readers will find this book relevant and up-to-date with regard to its information