Length scales of lipid dynamics and molecular dynamics

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作者
Feller, SE
Pastor, RW
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TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Following a brief overview of length scales and system size in computer simulation, it is demonstrated that a simulation sized lipid bilayer (typically a 50x50 Angstrom(2) patch) is in the regime where stretching dominates undulation, while the reverse holds for a flaccid macroscopic membrane. Then it is estimated that current system sizes of membrane simulations must be increased by at least a factor of 10 before thermodynamic limits are approached for quantities such as surface tension.
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页码:142 / 150
页数:9
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