A second generation mesoscopic lipid bilayer model: Connections to field-theory descriptions of membranes and nonlocal hydrodynamics

被引:28
作者
Ayton, GS [1 ]
McWhirter, JL
Voth, GA
机构
[1] Univ Utah, Ctr Biophys Modeling & Simulat, Salt Lake City, UT 84112 USA
[2] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
关键词
D O I
10.1063/1.2165194
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new mesoscopic membrane model is developed in order to examine long-wavelength structural and dynamical membrane phenomena. Two different explicit mesoscopic solvent models are employed. The first mesoscopic solvent is denoted the big liquid oscillating blob system, which is parametrized to model water at a coarse-grained level and is motivated by a Langevin-like approach; the resulting membrane dynamics predict a solvent viscosity dependence consistent with the known viscosity of water. The second mesoscopic solvent is a Weeks-Chandler-Anderson model. Here, it is found that the correct mesoscopic hydrodynamic scaling of the membrane undulation dynamics is still preserved, although accelerated. When the behavior of the two membranes in close proximity to one another is examined, very little correlated motion is observed. However, the theoretically predicted scaling of the entropic undulation energy is confirmed, demonstrating that the entropic interaction between two membranes becomes increasingly repulsive with decreasing separation. (c) 2006 American Institute of Physics.
引用
收藏
页数:12
相关论文
共 52 条
[1]   Bridging microscopic and mesoscopic simulations of lipid bilayers [J].
Ayton, G ;
Voth, GA .
BIOPHYSICAL JOURNAL, 2002, 83 (06) :3357-3370
[2]   Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation [J].
Ayton, G ;
Smondyrev, AM ;
Bardenhagen, SG ;
McMurtry, P ;
Voth, GA .
BIOPHYSICAL JOURNAL, 2002, 82 (03) :1226-1238
[3]   Interfacing molecular dynamics and macro-scale simulations for lipid bilayer vesicles [J].
Ayton, G ;
Smondyrev, AM ;
Bardenhagen, SG ;
McMurtry, P ;
Voth, GA .
BIOPHYSICAL JOURNAL, 2002, 83 (02) :1026-1038
[4]   Interfacing continuum and molecular dynamics: An application to lipid bilayers [J].
Ayton, G ;
Bardenhagen, SG ;
McMurtry, P ;
Sulsky, D ;
Voth, GA .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (15) :6913-6924
[5]   Simulation of Biomolecular Systems at Multiple Length and Time Scales [J].
Ayton, Gary S. ;
Voth, Gregory A. .
INTERNATIONAL JOURNAL FOR MULTISCALE COMPUTATIONAL ENGINEERING, 2004, 2 (02) :291-311
[6]  
Ayton GS, 2004, BIOPHYS J, V87, P3299, DOI [10.1529/biophysj.104.047811, 10.1529/biophysj.004.047811]
[7]   A new perspective on the coarse-grained dynamics of fluids [J].
Ayton, GS ;
Tepper, HL ;
Mirijanian, DT ;
Voth, GA .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (09) :4074-4088
[8]   Coupling field theory with continuum mechanics: A simulation of domain formation in giant unilamellar vesicles [J].
Ayton, GS ;
McWhirter, JL ;
McMurtry, P ;
Voth, GA .
BIOPHYSICAL JOURNAL, 2005, 88 (06) :3855-3869
[9]   Interfacing molecular dynamics with continuum dynamics in computer simulation: Toward an application to biological membranes [J].
Ayton, GSD ;
Bardenhagen, S ;
McMurtry, P ;
Sulsky, D ;
Voth, GA .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 2001, 45 (3-4) :417-426
[10]   Solvent-free simulations of fluid membrane bilayers [J].
Brannigan, G ;
Brown, FLH .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (02) :1059-1071