Molecular Simulations Of Supercooled Water At The Interface With Lipid Bilayers
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Author | : Adam Liwo |
Publisher | : Springer |
Total Pages | : 849 |
Release | : 2018-12-19 |
Genre | : Technology & Engineering |
ISBN | : 3319958437 |
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.
Author | : E. Anibal Disalvo |
Publisher | : Springer |
Total Pages | : 295 |
Release | : 2015-10-05 |
Genre | : Science |
ISBN | : 3319190601 |
This book is about the importance of water in determining the structure, stability and responsive behavior of biological membranes. Water confers to lipid membranes unique features in terms of surface and mechanical properties. The analysis of the hydration forces, plasticiser effects, controlled hydration, formation of microdomains of confined water suggests that water is an active constituent in a water-lipid system. The chapters describe water organization at the lipid membrane–water interphase, the water penetration, the long range water structure in the presence of lipid membranes by means of X-ray and neutron scattering, general polarization, fluorescent probes, ATR-FTIR and near infrared spectroscopies, piezo electric methods, computer simulation and surface thermodynamics. Permeation, percolation, osmotic stress, polarization, protrusion, sorption, hydrophobicity, density fluctuations are treated in detail in self-assembled bilayers. Studies in lipid monolayers show the correlation of surface pressure with water activity and its role in peptide and enzyme interactions. The book concludes with a discussion on anhydrobiosis and the effect of water replacement in microdomains and its consequence for cell function. New definitions of lipid/water interphases consider water not only as a structural-making solvent but as a mediator in signalling metabolic activity, modulating protein insertion and enzymatic activity, triggering oscillatory reactions and functioning of membrane bound receptors. Since these effects occur at the molecular level, membrane hydration appears fundamental to understand the behavior of nano systems and confined environments mimicking biological systems. These insights in structural, thermodynamical and mechanical water properties give a base for new paradigms in membrane structure and function for those interested in biophysics, physical chemistry, biology, bio and nano medicine, biochemistry, biotechnology and nano sciences searching for biotechnological inputs in human health, food industry, plant growing and energy conversion.
Author | : Max L. Berkowitz |
Publisher | : CRC Press |
Total Pages | : 335 |
Release | : 2019-04-30 |
Genre | : Science |
ISBN | : 1351060295 |
Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.
Author | : E. Anibal Disalvo |
Publisher | : CRC Press |
Total Pages | : 298 |
Release | : 2017-12-14 |
Genre | : Science |
ISBN | : 1351425382 |
This book presents a comprehensive and coherent picture of how molecules diffuse across a liquid that is, on average, only two molecules thick. It begins by characterizing bilayers structurally, using X-ray diffraction, and then mechanically by measuring elastic moduli and mechanisms of failure. Emphasis is placed on the stability and mechanical properties of plant membranes that are subject to very large osmotic and thermal stresses. Using this information, the transport of molecules of increasing complexity across bilayers is analyzed.
Author | : M. P. Allen |
Publisher | : Oxford University Press |
Total Pages | : 641 |
Release | : 2017 |
Genre | : Computers |
ISBN | : 0198803192 |
This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.
Author | : |
Publisher | : |
Total Pages | : 2002 |
Release | : 2004 |
Genre | : Medicine |
ISBN | : |
Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
Author | : Biman Bagchi |
Publisher | : Cambridge University Press |
Total Pages | : 383 |
Release | : 2013-11-14 |
Genre | : Medical |
ISBN | : 1107037298 |
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Author | : Marie-Claire Bellissent-Funel |
Publisher | : IOS Press |
Total Pages | : 456 |
Release | : 1999 |
Genre | : Medical |
ISBN | : 9789051994391 |
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.
Author | : |
Publisher | : |
Total Pages | : 2668 |
Release | : 2002 |
Genre | : Chemistry |
ISBN | : |
Author | : J. Katsaras |
Publisher | : Springer Science & Business Media |
Total Pages | : 304 |
Release | : 2013-06-29 |
Genre | : Science |
ISBN | : 366204496X |
Provides the reader with an up to date insight of the current state of the art in the field of lipid bilayer research and the important insights derived for the understanding of the complex and varied behaviour of biological membranes and its function.