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.

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.

This is the second book in the Handbook of Modern Biophysics series, dedicated to fundamental topics and new applications in biophysics. This book on biomembranes covers theory and application and includes problem sets, references and guides for further study.

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.

The Elsevier book series Advances in Biomembranes and Lipid Self-Assembly (previously titled Advances in Planar Lipid Bilayers and Liposomes), provides a global platform for a broad community of experimental and theoretical researchers studying cell membranes, lipid model membranes, and lipid self-assemblies from the micro- to the nanoscale. Planar lipid bilayers are widely studied due to their ubiquity in nature and find their application in the formulation of biomimetic model membranes and in the design of artificial dispersion of liposomes. Moreover, lipids self-assemble into a wide range of other structures including micelles and the liquid crystalline hexagonal and cubic phases. Consensus has been reached that curved membrane phases do play an important role in nature as well, especially in dynamic processes such as vesicles fusion and cell communication. Self-assembled lipid structures have enormous potential as dynamic materials ranging from artificial lipid membranes to cell membranes, from biosensing to controlled drug delivery, from pharmaceutical formulations to novel food products to mention a few. An assortment of chapters in this volume represents both original research as well as comprehensive reviews written by world leading experts and young researchers. - Surveys recent theoretical and experimental results on lipid micro- and nanostructures - Presents potential uses of applications like clinically relevant diagnostic and therapeutic procedures, biotechnology, pharmaceutical engineering, and food products - Provides both original research as well as comprehensive reviews written by world leading experts and young researchers - Provides a global platform for a broad community of experimental and theoretical researchers studying cell membranes, lipid model membranes, and lipid self-assemblies from the micro- to the nanoscale.

Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts

Mathematics is an effective tool to study and model the world in which we live. Schematically, a model is the representation of a system or a process obtained by substituting to the real phenomenon another one in a more familiar field through simplifications, abstractions and analogies. In this book the authors introduce tools needed to carry out computer simulations of membrane reactors. These simulations serve as a complement to conventional experiments, enabling us to learn something new, something that cannot be found out in other ways. This book emphasises the utility of mathematical modelling as an effective tool for predicting/simulating various membrane reactors processes working under different scenarios. The book is divided in 11 chapters dealing with the approach to different membrane reactors. The separation properties of the membranes are introduced first and used in simple simulations in which no reaction takes place. Afterwards, different approaches for simulation of different membrane reactors (porous, dense, zeolitic, metallic and polymeric, photocatalytic, bio- membrane reactors) are introduced and used is base case studies. Finally, the last chapter briefly introduces new numerical techniques applied to membrane and membrane reactors with particular attention to some aspects of quantum mechanics.

In keeping with goal and style of the Handbook in Modern Biophysics series, the proposed book will maintain a chapter structure that contains two parts: concepts and biological application. The book also integrates all the chapters into a smooth, continuous discourse. The first and second chapters establish the mathematical methods and theoretical framework underpinning the different topics in the rest if the book. Other chapters will use the theoretical framework as a basis to discuss optical and NMR approaches. Each chapter will contain innovative didactic elements that facilitate teaching, self-study, and research preparation (key points, summary, exercise, references).

Biophysical Approaches for the Study of Membrane Structure, Part B, Volume 701 explores lipid membrane asymmetry and lateral heterogeneity. A burst of recent research has shown that bilayers whose leaflets differ in their physical properties—such as composition, phase state, or lateral stress—exhibit many fascinating new characteristics, but also pose a host of challenges related to their creation, characterization, simulation, and theoretical description. Chapters in this new release include Characterization of domain formation in complex membranes: Analyzing the bending modulus from simulations of complex membranes, The density-threshold affinity: Calculating lipid binding affinities from unbiased Coarse-Grain Molecular Dynamics simulations, and much more.Additional sections cover Uncertainty quantification for trans-membrane stresses and moments from simulation, Using molecular dynamics simulations to generate small-angle scattering curves and cryo-EM images of proteoliposomes, Binary Bilayer Simulations for Partitioning Within Membranes, Modeling Asymmetric Cell Membranes at All-atom Resolution, Multiscale remodeling of biomembranes and vesicles, Building complex membranes with Martini 3, Predicting lipid sorting in curved bilayer membranes, Simulating asymmetric membranes using P21 periodic boundary conditions, and many other interesting topics. - Explore the state-of-the-art of lipid membrane asymmetry - Covers experimental, theoretical, and computational techniques to create and characterize asymmetric lipid membranes - Teaches how these kinds of approaches create and characterize laterally inhomogeneous membranes

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