Probing the molecular-scale lipid bilayer response to shear flow using nonequilibrium molecular dynamics

被引:18
作者
Blood, PD
Ayton, GS
Voth, GA
机构
[1] Univ Utah, Ctr Biophys Modeling & Simulat, Salt Lake City, UT 84112 USA
[2] Univ Utah, Dept Bioengn, Salt Lake City, UT 84112 USA
[3] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
关键词
D O I
10.1021/jp0530449
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 nonequilibrium molecular dynamics simulation of the response of dimyristoylphosphatidylcholine (DMPC) bilayers to a solvent shear flow is presented. Application of shear flow to planar, stationary DMPC bilayers results in a redistribution of the membrane density profile along the bilayer normal due to the alignment of the lipids in the direction of flow and an increase in average lipid chain length. An increase in the intermolecular and intramolecular order of the lipids in response to the shear flow is also observed. This study provides groundwork for understanding the mechanism of the full response of lipid bilayers to externally imposed solvent shear flows, beginning with the response in the absence of collective lipid motions such as undulations and bilayer flow.
引用
收藏
页码:18673 / 18679
页数:7
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