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The need for information in the understanding of membrane systems has been caused by three things - an increase in computer power; methodological developments and the recent expansion in the number of researchers working on it worldwide. However, there has been no up-to-date book that covers the application of simulation methods to membrane systems directly and this book fills an important void in the market. It provides a much needed update on the current methods and applications as well as highlighting recent advances in the way computer simulation can be applied to the field of membranes and membrane proteins. The objectives are to show how simulation methods can provide an important contribution to the understanding of these systems. The scope of the book is such that it covers simulation of membranes and membrane proteins, but also covers the more recent methodological developments such as coarse-grained molecular dynamics and multiscale approaches in systems biology. Applications embrace a range of biological processes including ion channel and transport proteins. The book is wide ranging with broad coverage and a strong coupling to experimental results wherever possible, including colour illustrations to highlight particular aspects of molecular structure. With an internationally respected list of authors, its publication is timely and it will prove indispensable to a large scientific readership.
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.
Biomembranes consist of molecular bilayers with many lipid and protein components. The fluidity of these bilayers allows them to respond to different environmental cues by changing their local molecular composition as well as their shape and topology. On the nanometer scale, this multi-responsive behavior can be studied by molecular dynamics simulations, which provide both snapshots and movies of the bilayer conformations. The general conceptual framework for these simulations is provided by the theory of curvature elasticity. The latter theory also explains the behavior of giant vesicles as observed by optical microscopy on the micrometer scale. The present volume describes new insights as obtained from recent developments in analytical theory, computer simulations, and experimental approaches. The seven chapters of the volume are arranged in a bottom-up manner from smaller to larger scales. These chapters address the refined molecular dynamics and multiscale modeling of biomembranes, their morphological complexity and adhesion, the engulfment and endocytosis of nanoparticles, the fusion of giant unilamellar vesicles, as well as recent advances in microfluidic technology applied to model membranes. Bridging the gap between lipid molecules and giant unilamellar vesicles (GUVs) Integrated view obtained from analytical theory, computer simulations, and experimental observations Multiresponsive behavior and morphological complexity of biomembranes
This book mainly focuses on key aspects of biomembranes that have emerged over the past 15 years. It covers static and dynamic descriptions, as well as modeling for membrane organization and shape at the local and global (at the cell level) scale. It also discusses several new developments in non-equilibrium aspects that have not yet been covered elsewhere. Biological membranes are the seat of interactions between cells and the rest of the world, and internally, they are at the core of complex dynamic reorganizations and chemical reactions. Despite the long tradition of membrane research in biophysics, the physics of cell membranes as well as of biomimetic or synthetic membranes is a rapidly developing field. Though successful books have already been published on this topic over the past decades, none include the most recent advances. Additionally, in this domain, the traditional distinction between biological and physical approaches tends to blur. This book gathers the most recent advances in this area, and will benefit biologists and physicists alike.
The study of membranes has become of high importance in the fields of biology, pharmaceutical chemistry and medicine, since much of what happens in a cell or in a virus involves biological membranes. The current book is an excellent introduction to the area, which explains how modern analytical methods can be applied to study biological membranes and membrane proteins and the bioprocesses they are involved to.
The medical MRI community is by far the largest user of diffusion NMR techniques and this book captures the current surge of methods and provides a primary source to aid adoption in this field. There is a trend to adapting the more advanced diffusion encoding sequences developed by NMR researchers within the fields of porous media, chemical engineering, and colloid science to medical research. Recently published papers indicate great potential for improved diagnosis of the numerous pathological conditions associated with changes of tissue microstructure that are invisible to conventional diffusion MRI. This book disseminates these recent developments to the wider community of MRI researchers and clinicians. The chapters cover the theoretical basis, hardware and pulse sequences, data analysis and validation, and recent applications aimed at promoting further growth in the field. This is a fast moving field and chapters are written by key MRI scientists that have contributed to the successful translation of the advanced diffusion NMR methods to the context of medical MRI, from global locations.
Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret b
Lipids in Photosynthesis provides readers with a comprehensive view of the structure, function and genetics of lipids in plants, algae and bacteria, with special emphasis on the photosynthetic apparatus in thylakoid membranes. This volume includes the historical background of the field, as well as a full review of our current understanding of the structure and molecular organization of lipids and their role in the functions of photosynthetic membranes. The physical properties of membrane lipids in thylakoid membranes and their relationship to photosynthesis are also discussed. Other topics include the biosynthesis of glycerolipids and triglycerides; reconstitution of photosynthetic structures and activities with lipids; lipid-protein interactions in the import of proteins into chloroplasts; the development of thylakoid membranes as it relates to lipids; genetic engineering of the unsaturation of membrane glycerolipids, with a focus on the ability of the photosynthetic machinery to tolerate temperature stress; and the involvement of chloroplast lipids in the reactions of plants upon exposure to stress. This book is intended for a wide audience and should be of interest to advanced undergraduate and graduate students and to researchers active in the field, as well as to those scientists whose fields of specialization include the biochemistry, physiology, molecular biology, biophysics and biotechnology of membranes.
Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.* Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations
An overview of recent experimental and theoretical developments in the field of the physics of membranes, including new insights from the past decade. The author uses classical thermal physics and physical chemistry to explain our current understanding of the membrane. He looks at domain and 'raft' formation, and discusses it in the context of thermal fluctuations that express themselves in heat capacity and elastic constants. Further topics are lipid-protein interactions, protein binding, and the effect of sterols and anesthetics. Many seemingly unrelated properties of membranes are shown to be intimately intertwined, leading for instance to a coupling between membrane state, domain formation and vesicular shape. This also applies to non-equilibrium phenomena like the propagation of density pulses during nerve activity. Also included is a discussion of the application of computer simulations on membranes. For both students and researchers of biophysics, biochemistry, physical chemistry, and soft matter physics.