Molecular simulations and biomembranes from biophysics to function by M. S. P. Sansom

Cover of: Molecular simulations and biomembranes | M. S. P. Sansom

Published by Royal Society of Chemistry in Cambridge .

Written in English

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Subjects:

  • Membrane Proteins,
  • Computer simulation,
  • Molecular Dynamics Simulation,
  • Membranes,
  • Physiology,
  • Membranes (Biology)

Edition Notes

Includes bibliographical references and index.

Book details

Statementedited by Mark S.P. Sansom and Philip C. Biggin
SeriesRSC biomolecular sciences -- no. 20, RSC biomolecular sciences -- no. 20.
ContributionsRoyal Society of Chemistry (Great Britain)
Classifications
LC ClassificationsQH601 .M653 2010
The Physical Object
Paginationxvi, 314 p. :
Number of Pages314
ID Numbers
Open LibraryOL25271389M
ISBN 100854041893
ISBN 109780854041893
LC Control Number2012360676
OCLC/WorldCa615873793

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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 :// Molecular Simulations and Biomembranes: From Biophysics to Function highlights recent advances in the way computer simulation can be applied to the field of membranes and membrane proteins.

The authors demonstrate how simulation methods provide an important contribution to the understanding of these systems. The scope of the book covers  › Books › New, Used & Rental Textbooks › Medicine & Health Sciences. Molecular Simulations and Biomembranes 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 From the book: Molecular Simulations and Biomembranes: From Biophysics to Function Chapter 1 Methods and Parameters for Membrane Simulations.

Peter Tieleman Computer simulations of lipids and membrane proteins are essentially standard biomolecular simulation projects but there are a number of issues that are specific to membranes or require ISBN: OCLC Number: Description: xvi, pages: illustrations (some color) ; 25 cm.

Contents: Methods and parameters for membrane simulations / D. Peter Tieleman --Lateral pressure profiles in lipid membranes: dependence on molecular composition / O.H. Samuli Ollila and Ilpo Vattulainen --Coarse-grained molecular dynamics simulations of Get this from a library. Molecular simulations and biomembranes: from biophysics to function.

[Mark Sansom; Phillip Biggin;] -- 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 From the book: Molecular Simulations and Biomembranes: From Biophysics to Molecular simulations and biomembranes book Chapter 9 Molecular Dynamics Studies of Outer Membrane Proteins: a Story of Barrels.

Syma Khalid and Marc Baaden Outer membrane proteins (OMPs) of Gram-negative bacteria have a variety of functions including passive transport, active transport, catalysis Coarse-grained (CG) models of lipids and proteins are making an increasing impact on molecular dynamics simulations of membrane proteins and peptides.

In this chapter we provide a brief introduction to the general methodology for CG MD simulations of biomembranes. We illustrate such simulations via some recent test :// Amazon配送商品ならMolecular Simulations and Biomembranes: From Biophysics to Function (RSC Biomolecular Sciences)が通常配送無料。更にAmazonならポイント還元本が多数。Sansom, Mark S P, Biggin, Philip C作品ほか、お急ぎ便対象商品は当日お届けも 1.

Introduction. Biomembranes consist of various lipid molecules as well as membrane l lipid molecules are amphiphilic and spontaneously form a bilayer where the hydrophobic acyl chains exist in the interior and the hydrophilic head groups facing ions, sugars, polypeptides, and other large substrates have difficulties in crossing the membrane hydrophobic core Although all biomembranes have the same basic phospholipid bilayer structure and certain common functions, each type of cellular membrane also has certain distinctive activities determined largely by the unique set of proteins associated with that membrane.

The two basic categories of membrane proteins were introduced in Chapter 3: integral proteins, all or part of which penetrate or span the New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody­ namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in :// Molecular dynamics simulations of water above a lipid (dimyristoylphosphatidylcholine) monolayer show that the structure and dynamics of the water are quite sensitive to the treatment of the long Read the latest chapters of Advances in Biomembranes and Lipid Self-Assembly atElsevier’s leading platform of peer-reviewed scholarly literature Advances in Biomembranes and Lipid Self-Assembly.

Refined molecular dynamics simulations of phospholipid bilayers. Markus S. Miettinen. Download ://   CiteScore: ℹ CiteScore: CiteScore measures the average citations received per document published in this title. CiteScore values are based on citation counts in a given year (e.g. ) to documents published in three previous calendar years (e.g.

– 14), divided by the number of documents in these three previous years (e.g. – 14). Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport disparate disciplines with shared goals (e.g.

understanding ion transport across biomembranes) must find a common language to communicate ideas, approaches, and results.

Purchase Multiresponsive Behavior of Biomembranes and Giant Vesicles, Volume 30 - 1st Edition. Print Book & E-Book. ISBNIn Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques.

A selection of advanced techniques and recent  › Life Sciences › Systems Biology and Bioinformatics. Molecular Simulations and Biomembranes: From Biophysics to Function - Mark S.

Sansom - 洋書の購入は楽天ブックスで。全品送料無料!購入毎に「楽天スーパーポイント」が貯まってお得!みんなのレビュー・感想も満載。 The mechanism of interaction between lipid bilayers as a model of cell membranes and carbon nanomaterials was studied by all-atoms molecular dynamics simulations.

The effect of the type of nanoparticles was studied by considering graphene, graphene nanoribbons, graphene oxide, nanocones, fullerenes and ://   Introduction. Simulations of biomembranes that span a variety of length scales have become common over the last two decades [1–9].This, however, does not imply that simulations can be performed without closely inspecting the simulation details as it has been shown that unfortunate choices in conditions or parameters can lead to unsuccessful simulations [10–12].

Larger scale simulations allow us to address a number of aspects of the dynamic organization of lipids and proteins in models of bacterial, viral, and mammalian cell membranes 4. [1] Hedger, G., and Sansom, M. () Lipid interaction sites on channels, transporters and receptors: recent insights from molecular dynamics simulations, ‘molecular-simulations-biomembranes.

Introduction to Molecular Simulation and Statistical Thermodynamics Thijs J.H. Vlugt Delft University of Technology Process & Energy Laboratory Leeghwaterstraat 44 CA Delft, The Netherlands Jan P.J.M. van der Eerden Condensed Matter and Interfaces (CMI) Department of Chemistry Utrecht University Utrecht, The Netherlands Marjolein   We have investigated the phase behavior of DPPC (dipalmitoylphosphatidylcholine) monolayers at the water−air interface using molecular dynamics simulations, where the phospholipids and the water molecules are modeled atomistically.

We report pressure−area isotherms in the interval of − K. Our results show evidence for a liquid condensed (LC) to liquid expanded (LE) phase   Computing a definite integral is a simple illustrative example of using Monte Carlo method.

Consider the simple function () = and its definite integral from 0 to 1: = ∫ In this case, the conformation space is two dimensional and random x and y values will Force Fields for Biomembranes Simulations.

In book: Biomembrane Simulations, pp Rapid development of computer power during the last decade has made molecular simulations of lipid /_Force_Fields_for_Biomembranes_Simulations. 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 lipid bilayers are widely In Philip Biggin and Mark Sansom, editors, Molecular Simulations and Biomembranes: From Biophysics to Function, chap pp.

Royal Society of Chemistry, Long time and large size molecular dynamics simulations made feasible through new TeraGrid hardware and :// 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 Biomembranes are omnipresent in the living world. Each cell is bounded by a cell (plasma) membrane.

Also, sub-cellular structures (organelles and nucleus) are enclosed in internal membranes (Fig. Protein Aggregation and Misfolding at the Cell Membrane Interface. Edited by select article Interaction between amyloidogenic proteins and biomembranes in protein misfolding diseases: Mechanisms, contributors, and therapy select article Aggregation of PrP– on surfaces of neutral and negatively charged membranes studied by Request PDF | Biomembranes in atomistic and coarse-grained simulations | The architecture of biological membranes is tightly coupled to the localization, organization, and function of membrane Through molecular dynamics simulations, the model is used to investigate the thermal, structural and elastic properties of lipid membranes.

We will also review here few studies, based on this model, of the phase behavior of nanoscale liposomes, cytoskeleton-induced blebbing in lipid membranes, as well as nanoparticles wrapping and endocytosis Modeling of biomembranes: from computational toxicology to simulations of neurodegenerative diseases Thesis (PDF Available) March with Reads How we measure 'reads' Successful multidisciplinary collaborations, progress in the experimental determination of three-dimensional structures of membrane proteins together with new algorithms for molecular simulations and the increasing speed and availability of supercomputers, have made possible a considerable progress in this area of :// 2 days ago  BBA Biomembranes has its main focus on membrane structure, function and biomolecular organization, membrane proteins, receptors, channels and anchors, fluidity and composition, model membranes and liposomes, membrane surface studies and ligand interactions, transport studies, and membrane dynamics.

Types of Papers: regular papers, reviews and   The molecular and structural organization of biomembranes from the sub-nanometer scale to tens of nanometers in silico is probably best addressed by CG MD simulations.

These can be extended easily to tens of microseconds, capturing the typical timescale of molecular diffusion and   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 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, Computer simulations (Molecular Mechanics, Molecular Dynamics, Monte Carlo simulations) are some of the most promising methods for achieving this purpose.

Among these methods, Molecular Dynamics can give details that are difficult or impossible to obtain ://. Molecular dynamics simulations of α-tocopherol in a number of saturated phospholipid bilayers were performed at, and K. The phospholipids contained either short acyl tails, i.e   We present a molecular dynamics study on the interaction of styryl-type voltage-sensitive dyes with a lipid membrane.

In this work, voltage-sensitive dyes are proposed as interesting model amphiphiles for biomolecular simulation, due to the wealth of biophysical and thermodynamical data available on their behavior and their binding to lipid membranes.

Taking this data as a basis, we This book is a broad survey covering the fundamental concepts and current state of research in biomembranes. It is intended as a text suitable for graduate level courses or as a reference work for individuals who are either already involved in membrane research or are interested in entering the field.

Portions of the text in addition contain information which is particularly valuable to ?id=C-dqAAAAMAAJ.

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