Coarse grained methods: Applications to membranes

D. Harries; G. Khelashvili

doi:10.1016/B978-0-12-374920-8.00905-X

Coarse grained methods: Applications to membranes

D. Harries, G. Khelashvili

Institute of Chemistry

The Hebrew University of Jerusalem

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

Modelling lipid membranes is particularly challenging because many of the bilayer properties arise from the concerted action of many molecules on the mesoscale, requiring large simulation cells and long times of at least milliseconds. This makes coarse-grained methodologies particularly attractive for simulating lipids. This chapter reviews the main current strategies for coarse grained modelling of lipid systems. Coarse graining is introduced on several length scales, allowing access to different aspects of processes unfolding at lipid interfaces and within the bilayer.

Original language	English
Title of host publication	Comprehensive Biophysics
Publisher	Elsevier Inc.
Pages	53-75
Number of pages	23
Volume	9
ISBN (Print)	9780080957180
DOIs	https://doi.org/10.1016/B978-0-12-374920-8.00905-X
State	Published - 2012

Keywords

BAR domain
Continuum model
Curvature
DNA-lipid interaction
Deformation
Electrostatics
Lipid bilayer
Mean-field theory
Molecular dynamics
Protein-lipid interaction

All Science Journal Classification (ASJC) codes

General Biochemistry,Genetics and Molecular Biology

Access to Document

10.1016/B978-0-12-374920-8.00905-X

Cite this

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title = "Coarse grained methods: Applications to membranes",

abstract = "Modelling lipid membranes is particularly challenging because many of the bilayer properties arise from the concerted action of many molecules on the mesoscale, requiring large simulation cells and long times of at least milliseconds. This makes coarse-grained methodologies particularly attractive for simulating lipids. This chapter reviews the main current strategies for coarse grained modelling of lipid systems. Coarse graining is introduced on several length scales, allowing access to different aspects of processes unfolding at lipid interfaces and within the bilayer.",

keywords = "BAR domain, Continuum model, Curvature, DNA-lipid interaction, Deformation, Electrostatics, Lipid bilayer, Mean-field theory, Molecular dynamics, Protein-lipid interaction",

author = "D. Harries and G. Khelashvili",

note = "Funding Information: DH acknowledges support from the Israel Science Foundation (ISF Grant No. 1011/07) as well as an allocation for a high-performance computer cluster facility (ISF Grant No. 1012/07). The Fritz Haber research center is supported by the Minerva Foundation, Munich, Germany. GK is supported by grants from the National Institutes of Health P01 DA012408 and P01 DA012923. Computational resources of the David A. Cofrin Center for Biomedical Information in the HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine are gratefully acknowledged.",

year = "2012",

doi = "10.1016/B978-0-12-374920-8.00905-X",

language = "الإنجليزيّة",

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AU - Harries, D.

AU - Khelashvili, G.

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AB - Modelling lipid membranes is particularly challenging because many of the bilayer properties arise from the concerted action of many molecules on the mesoscale, requiring large simulation cells and long times of at least milliseconds. This makes coarse-grained methodologies particularly attractive for simulating lipids. This chapter reviews the main current strategies for coarse grained modelling of lipid systems. Coarse graining is introduced on several length scales, allowing access to different aspects of processes unfolding at lipid interfaces and within the bilayer.

KW - BAR domain

KW - Continuum model

KW - Curvature

KW - DNA-lipid interaction

KW - Deformation

KW - Electrostatics

KW - Lipid bilayer

KW - Mean-field theory

KW - Molecular dynamics

KW - Protein-lipid interaction

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DO - 10.1016/B978-0-12-374920-8.00905-X

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SN - 9780080957180

VL - 9

SP - 53

EP - 75

BT - Comprehensive Biophysics

PB - Elsevier Inc.

ER -

Coarse grained methods: Applications to membranes

Abstract

Keywords

All Science Journal Classification (ASJC) codes

Access to Document

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