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Author: Fumio Hirata Publisher: CRC Press ISBN: 1351201425 Category : History Languages : en Pages : 299
Book Description
In a living body, a variety of molecules are working in a concerted manner to maintain its life, and to carry forward the genetic information from generation to generation. A key word to understand such processes is "water," which plays an essential role in life phenomena. This book sheds light on life phenomena, which are woven by biomolecules as warp and water as weft, by means of statistical mechanics of molecular liquids, the RISM and 3D-RISM theories, both in equilibrium and non-equilibrium. A considerable number of pages are devoted to basics of mathematics and physics, so that students who have not majored in physics may be able to study the book by themselves. The book will also be helpful to those scientists seeking better tools for the computer-aided-drug-discovery. Explains basics of the statistical mechanics of molecular liquids, or RISM and 3D-RISM theories, and its application to water. Provides outline of the generalized Langevin theory and the linear response theory, and its application to dynamics of water. Applies the theories to functions of biomolecular systems. Applies the theories to the computer aided drug design. Provides a perspective for future development of the method.
Author: Fumio Hirata Publisher: CRC Press ISBN: 1351201425 Category : History Languages : en Pages : 299
Book Description
In a living body, a variety of molecules are working in a concerted manner to maintain its life, and to carry forward the genetic information from generation to generation. A key word to understand such processes is "water," which plays an essential role in life phenomena. This book sheds light on life phenomena, which are woven by biomolecules as warp and water as weft, by means of statistical mechanics of molecular liquids, the RISM and 3D-RISM theories, both in equilibrium and non-equilibrium. A considerable number of pages are devoted to basics of mathematics and physics, so that students who have not majored in physics may be able to study the book by themselves. The book will also be helpful to those scientists seeking better tools for the computer-aided-drug-discovery. Explains basics of the statistical mechanics of molecular liquids, or RISM and 3D-RISM theories, and its application to water. Provides outline of the generalized Langevin theory and the linear response theory, and its application to dynamics of water. Applies the theories to functions of biomolecular systems. Applies the theories to the computer aided drug design. Provides a perspective for future development of the method.
Author: Katsura Nishiyama Publisher: Springer Nature ISBN: 981165395X Category : Science Languages : en Pages : 469
Book Description
This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.
Author: John Shipley Rowlinson Publisher: Courier Corporation ISBN: 0486425444 Category : Science Languages : en Pages : 354
Book Description
History of thought on molecular origins of surface phenomena offers a critical and detailed examination and assessment of modern theories, focusing on statistical mechanics and application of results in mean-field approximation to model systems. Emphasis on liquid-gas surface, with a focus on liquid-liquid surfaces in the final chapters. 1989 edition.
Author: Roland Kjellander Publisher: CRC Press ISBN: 1482244020 Category : Science Languages : en Pages : 544
Book Description
The statistical mechanical theory of liquids and solutions is a fundamental area of physical sciences with important implications for many industrial applications. This book shows how you can start from basic laws for the interactions and motions of microscopic particles and calculate how macroscopic systems of these particles behave, thereby explaining properties of matter at the scale that we perceive. Using this microscopic, molecular approach, the text emphasizes clarity of physical explanations for phenomena and mechanisms relevant to fluids, addressing the structure and behavior of liquids and solutions under various conditions. A notable feature is the author’s treatment of forces between particles that include nanoparticles, macroparticles, and surfaces. The book also provides an expanded, in-depth treatment of polar liquids and electrolytes.
Author: Denis J. Evans Publisher: Cambridge University Press ISBN: 1139471937 Category : Science Languages : en Pages : 327
Book Description
In recent years the interaction between dynamical systems theory and non-equilibrium statistical mechanics has been enormous. The discovery of fluctuation theorems as a fundamental structure common to almost all non-equilibrium systems, and the connections with the free energy calculation methods of Jarzynski and Crooks, have excited both theorists and experimentalists. This graduate-level book charts the development and theoretical analysis of molecular dynamics as applied to equilibrium and non-equilibrium systems. Designed for both researchers in the field and graduate students of physics, it connects molecular dynamics simulation with the mathematical theory to understand non-equilibrium steady states. It also provides a link between the atomic, nano, and macro worlds. The book ends with an introduction to the use of non-equilibrium statistical mechanics to justify a thermodynamic treatment of non-equilibrium steady states, and gives a direction to further avenues of exploration.
Author: A.J. Barnes Publisher: Springer Science & Business Media ISBN: 9400964633 Category : Science Languages : en Pages : 594
Book Description
This ASI was planned to make a major contribution to the teaching of the principles and methods used in liquid phase ~esearch and to encourage the setting up of collaborative projects, as advocated by the European Molecular Liquids Group (secretary: Dr J. Yarwood, University of Durham, U. K. ). During the past five years considerable progress has been made in studying molecular liquids. The undoubted advantages of international collaboration led to the formation of the European Molecular Liquids Group (EMLG) in July 1981. The activities of the EMLG were widely disseminated in a special session of the European Congress on Molecular Spectroscopy (EUCMOS) held in September 1981 (for details, see J. Mol. Structure, 80 (1982) 375 - 421). Following the success of this meeting, it was thought that the aims and objectives of the E~G would be best served by the organisation of a broader-based gathering designed to attract those interested in the study of the structure, dynamics and interactions in the liquid state. Thanks to the generous support by the Scientific Affairs Division of NATO, it was possible to hold a NATO ASI on Molecular Liquids at the Italian Centre of Stanford University, Florence, Italy during June-July 1983. This book is based on the lectures presented at that meeting. The contents of this volume cover the three broad areas of current liquid phase research: (a) Analytical theory.
Author: Christopher G. Gray Publisher: OUP Oxford ISBN: 9780198556213 Category : Science Languages : en Pages : 0
Book Description
Existing texts on liquid theory are limited to simple liquids of spherical molecules, but nearly all liquids of practical interest have molecules that are non-spherical, resulting in more diverse phenomena. This text is the first to provide the molecular theory for such liquids, and describes applications to a wide range of physical properties.
Author: Kunihiro Kuwajima Publisher: Springer Science & Business Media ISBN: 3540887873 Category : Science Languages : en Pages : 316
Book Description
Life is produced by the interplay of water and biomolecules. This book deals with the physicochemical aspects of such life phenomena produced by water and biomolecules, and addresses topics including "Protein Dynamics and Functions", "Protein and DNA Folding", and "Protein Amyloidosis". All sections have been written by internationally recognized front-line researchers. The idea for this book was born at the 5th International Symposium "Water and Biomolecules", held in Nara city, Japan, in 2008.
Author: Fumio Hirata
Author: Fumio Hirata
Author: Katsura Nishiyama
Author: John Shipley Rowlinson
Author: Roland Kjellander
Author: Denis J. Evans
Author: A.J. Barnes
Author: Giovanni Ciccotti
Author: Christopher G. Gray
Author: Stuart Alan Rice
Author: Kunihiro Kuwajima