Simulation of pore formation in lipid bilayers by mechanical stress and electric fields

被引:374
作者
Tieleman, DP
Leontiadou, H
Mark, AE
Marrink, SJ
机构
[1] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 1N4, Canada
[2] Univ Groningen, Dept Biophys Chem, NL-9747 AG Groningen, Netherlands
关键词
D O I
10.1021/ja029504i
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We describe computer simulations of pore formation and membrane rupture of phospholipid bilayers under mechanical and electrical stress. On the nanosecond simulation time scale, pores are induced by a lateral pressure exceeding -200 bar or by an applied electric field of 0.5 V/nm. Copyright © 2003 American Chemical Society.
引用
收藏
页码:6382 / 6383
页数:2
相关论文
共 13 条
[1]   Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature [J].
Berger, O ;
Edholm, O ;
Jahnig, F .
BIOPHYSICAL JOURNAL, 1997, 72 (05) :2002-2013
[2]   A SMOOTH PARTICLE MESH EWALD METHOD [J].
ESSMANN, U ;
PERERA, L ;
BERKOWITZ, ML ;
DARDEN, T ;
LEE, H ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) :8577-8593
[3]  
EVANS E, 2002, IN PRESS COMPTE REND
[4]   Mesoscopic simulation of cell membrane damage, morphology change and rupture by nonionic surfactants [J].
Groot, RD ;
Rabone, KL .
BIOPHYSICAL JOURNAL, 2001, 81 (02) :725-736
[5]   VMD: Visual molecular dynamics [J].
Humphrey, W ;
Dalke, A ;
Schulten, K .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) :33-38
[6]   GROMACS 3.0: a package for molecular simulation and trajectory analysis [J].
Lindahl, E ;
Hess, B ;
van der Spoel, D .
JOURNAL OF MOLECULAR MODELING, 2001, 7 (08) :306-317
[7]   Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations [J].
Lindahl, E ;
Edholm, O .
BIOPHYSICAL JOURNAL, 2000, 79 (01) :426-433
[8]   Simulation of the spontaneous aggregation of phospholipids into bilayers [J].
Marrink, SJ ;
Lindahl, E ;
Edholm, O ;
Mark, AE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (35) :8638-8639
[9]   Voltage-induced nonconductive pre-pores and metastable single pores in unmodified planar lipid bilayer [J].
Melikov, KC ;
Frolov, VA ;
Shcherbakov, A ;
Samsonov, AV ;
Chizmadzhev, YA ;
Chernomordik, LV .
BIOPHYSICAL JOURNAL, 2001, 80 (04) :1829-1836
[10]   Membrane stability under electrical stress: A nonlocal electroelastic treatment [J].
Partenskii, MB ;
Dorman, VL ;
Jordan, PC .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (23) :10361-10371