Lipids on the move: Simulations of membrane pores, domains, stalks and curves

Siewert J. Marrink; Alex H. de Vries; D. Peter Tieleman

doi:10.1016/j.bbamem.2008.10.006

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

Siewert J. Marrink^*, Alex H. de Vries, D. Peter Tieleman

^*Corresponding author for this work

Molecular Dynamics

Research output: Contribution to journal › Review article › peer-review

401 Citations (Scopus)

Abstract

In this review we describe the state-of-the-art of computer simulation studies of lipid membranes. We focus on collective lipid-lipid and lipid-protein interactions that trigger deformations of the natural lamellar membrane state, showing that many important biological processes including self-aggregation of membrane components into domains, the formation of non-lamellar phases, and membrane poration and curving, are now amenable to detailed simulation studies. (C) 2008 Elsevier B.V. All rights reserved.

Original language	English
Pages (from-to)	149-168
Number of pages	20
Journal	Biochimica et Biophysica Acta-Biomembranes
Volume	1788
Issue number	1
DOIs	https://doi.org/10.1016/j.bbamem.2008.10.006
Publication status	Published - Jan-2009

Keywords

Computer modeling
Molecular dynamics
Biological membrane
Non-lamellar phase
Self-assembly
Phase transformation
Membrane pore
Vesicle
Lipid flip-flop
MOLECULAR-DYNAMICS SIMULATIONS
COARSE-GRAINED MODEL
DISSIPATIVE PARTICLE DYNAMICS
SELF-ASSEMBLED MEMBRANES
IONIC CHARGE IMBALANCE
ARGININE SIDE-CHAIN
COMPUTER-SIMULATIONS
VOLTAGE SENSOR
VESICLE FUSION
ANTIMICROBIAL PEPTIDES

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title = "Lipids on the move: Simulations of membrane pores, domains, stalks and curves",

abstract = "In this review we describe the state-of-the-art of computer simulation studies of lipid membranes. We focus on collective lipid-lipid and lipid-protein interactions that trigger deformations of the natural lamellar membrane state, showing that many important biological processes including self-aggregation of membrane components into domains, the formation of non-lamellar phases, and membrane poration and curving, are now amenable to detailed simulation studies. (C) 2008 Elsevier B.V. All rights reserved.",

keywords = "Computer modeling, Molecular dynamics, Biological membrane, Non-lamellar phase, Self-assembly, Phase transformation, Membrane pore, Vesicle, Lipid flip-flop, MOLECULAR-DYNAMICS SIMULATIONS, COARSE-GRAINED MODEL, DISSIPATIVE PARTICLE DYNAMICS, SELF-ASSEMBLED MEMBRANES, IONIC CHARGE IMBALANCE, ARGININE SIDE-CHAIN, COMPUTER-SIMULATIONS, VOLTAGE SENSOR, VESICLE FUSION, ANTIMICROBIAL PEPTIDES",

author = "Marrink, {Siewert J.} and {de Vries}, {Alex H.} and Tieleman, {D. Peter}",

year = "2009",

month = jan,

doi = "10.1016/j.bbamem.2008.10.006",

language = "English",

volume = "1788",

pages = "149--168",

journal = "Biochimica et Biophysica Acta-Biomembranes",

issn = "0005-2736",

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number = "1",

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T1 - Lipids on the move

T2 - Simulations of membrane pores, domains, stalks and curves

AU - Marrink, Siewert J.

AU - de Vries, Alex H.

AU - Tieleman, D. Peter

PY - 2009/1

Y1 - 2009/1

N2 - In this review we describe the state-of-the-art of computer simulation studies of lipid membranes. We focus on collective lipid-lipid and lipid-protein interactions that trigger deformations of the natural lamellar membrane state, showing that many important biological processes including self-aggregation of membrane components into domains, the formation of non-lamellar phases, and membrane poration and curving, are now amenable to detailed simulation studies. (C) 2008 Elsevier B.V. All rights reserved.

AB - In this review we describe the state-of-the-art of computer simulation studies of lipid membranes. We focus on collective lipid-lipid and lipid-protein interactions that trigger deformations of the natural lamellar membrane state, showing that many important biological processes including self-aggregation of membrane components into domains, the formation of non-lamellar phases, and membrane poration and curving, are now amenable to detailed simulation studies. (C) 2008 Elsevier B.V. All rights reserved.

KW - Computer modeling

KW - Molecular dynamics

KW - Biological membrane

KW - Non-lamellar phase

KW - Self-assembly

KW - Phase transformation

KW - Membrane pore

KW - Vesicle

KW - Lipid flip-flop

KW - MOLECULAR-DYNAMICS SIMULATIONS

KW - COARSE-GRAINED MODEL

KW - DISSIPATIVE PARTICLE DYNAMICS

KW - SELF-ASSEMBLED MEMBRANES

KW - IONIC CHARGE IMBALANCE

KW - ARGININE SIDE-CHAIN

KW - COMPUTER-SIMULATIONS

KW - VOLTAGE SENSOR

KW - VESICLE FUSION

KW - ANTIMICROBIAL PEPTIDES

U2 - 10.1016/j.bbamem.2008.10.006

DO - 10.1016/j.bbamem.2008.10.006

M3 - Review article

SN - 0005-2736

VL - 1788

SP - 149

EP - 168

JO - Biochimica et Biophysica Acta-Biomembranes

JF - Biochimica et Biophysica Acta-Biomembranes

IS - 1

ER -

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

Abstract

Keywords

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