Computer simulations of lipid membrane domains

被引:148
作者
Bennett, W. F. Drew
Tieleman, D. Peter [1 ]
机构
[1] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 1N4, Canada
来源
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES | 2013年 / 1828卷 / 08期
基金
加拿大自然科学与工程研究理事会;
关键词
Lipid raft; Protein sorting; Cholesterol; Molecular simulation; Phase diagram; Lipid domain; MOLECULAR-DYNAMICS SIMULATIONS; COARSE-GRAINED MODEL; PROTEIN-COUPLED RECEPTORS; CHOLESTEROL FLIP-FLOP; PHOSPHOLIPID-MEMBRANES; NEUTRON-SCATTERING; LATERAL DIFFUSION; PHASE-TRANSITION; MIXED BILAYERS; MECHANOSENSITIVE CHANNEL;
D O I
10.1016/j.bbamem.2013.03.004
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
There is great diversity in the composition and structure of biological lipid membranes. We are beginning to appreciate the crucial role of lipids in many cellular processes, and characterize some of the lateral structures within membranes that could play a role in the activity of lipids. Simulations probe molecular level interactions between single molecules, which provide complementary information to experiments. Lipid membrane simulations have reached an exciting point, where the time and length scales of our simulations are approaching experimental resolutions and can be used to interpret experiments on increasingly complex model membranes. The focus of this review is on recent molecular simulations of domain formation in lipid bilayers. We highlight a number of recent examples where simulations are used in collaboration with experiments. We review recent simulation studies on lipid-lipid interactions related to domain formation and on lipid-protein interactions relevant for lipid raft function. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码:1765 / 1776
页数:12
相关论文
共 139 条
[11]   Computer simulations of the phase separation in model membranes [J].
Baoukina, Svetlana ;
Mendez-Villuendas, Eduardo ;
Bennett, W. F. Drew ;
Tieleman, D. Peter .
FARADAY DISCUSSIONS, 2013, 161 :63-75
[12]   Molecular View of Phase Coexistence in Lipid Monolayers [J].
Baoukina, Svetlana ;
Mendez-Villuendas, Eduardo ;
Tieleman, D. Peter .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2012, 134 (42) :17543-17553
[13]   Lung Surfactant Protein SP-B Promotes Formation of Bilayer Reservoirs from Monolayer and Lipid Transfer between the Interface and Subphase [J].
Baoukina, Svetlana ;
Tieleman, D. Peter .
BIOPHYSICAL JOURNAL, 2011, 100 (07) :1678-1687
[14]   Large-scale fluid/fluid phase separation of proteins and lipids in giant plasma membrane vesicles [J].
Baumgart, Tobias ;
Hammond, Adam T. ;
Sengupta, Prabuddha ;
Hess, Samuel T. ;
Holowka, David A. ;
Baird, Barbara A. ;
Webb, Watt W. .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (09) :3165-3170
[15]   Molecular simulation of rapid translocation of cholesterol, diacylglycerol, and ceramide in model raft and nonraft membranes [J].
Bennett, W. F. Drew ;
Tieleman, D. Peter .
JOURNAL OF LIPID RESEARCH, 2012, 53 (03) :421-429
[16]   Water Defect and Pore Formation in Atomistic and Coarse-Grained Lipid Membranes: Pushing the Limits of Coarse Graining [J].
Bennett, W. F. Drew ;
Tieleman, D. Peter .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (09) :2981-2988
[17]   Molecular View of Cholesterol Flip-Flop and Chemical Potential in Different Membrane Environments [J].
Bennett, W. F. Drew ;
MacCallum, Justin L. ;
Hinner, Marlon J. ;
Marrink, Siewert J. ;
Tieleman, D. Peter .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (35) :12714-12720
[18]   Thermodynamic Analysis of the Effect of Cholesterol on Dipalmitoylphosphatidylcholine Lipid Membranes [J].
Bennett, W. F. Drew ;
MacCallum, Justin L. ;
Tieleman, D. Peter .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (05) :1972-1978
[19]   Detailed molecular dynamics simulations of model biological membranes containing cholesterol [J].
Berkowitz, Max L. .
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, 2009, 1788 (01) :86-96
[20]   Continuum simulations of biomembrane dynamics and the importance of hydrodynamic effects [J].
Brown, Frank L. H. .
QUARTERLY REVIEWS OF BIOPHYSICS, 2011, 44 (04) :391-432