Toy amphiphiles on the computer: What can we learn from generic models?

被引:27
|
作者
Schmid, Friederike [1 ]
机构
[1] Univ Bielefeld, Dept Phys, D-33615 Bielefeld, Germany
关键词
amphiphiles; block copolymers; elastic theory; lipids; membranes; micelles; modeling; phase diagrams; simulations; MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO SIMULATIONS; SPONTANEOUS VESICLE FORMATION; COARSE-GRAINED MODEL; WATER OIL INTERFACE; PHASE-TRANSITIONS; LIPID-BILAYERS; MESOSCOPIC DYNAMICS; BLOCK-COPOLYMERS; CHAIN MOLECULES;
D O I
10.1002/marc.200800750
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Generic coarse-grained models are designed such that they are (i) simple and (ii) computationally efficient. A priori, they do not aim at representing particular materials, but classes of materials, hence they can offer insight into universal properties of these classes. Here we review generic models for amphiphilic molecules and discuss applications in studies of self-assembling nanostructures and the local structure of bilayer membranes, i.e., their phases and their interactions with nanosized inclusions. Special attention is given to the comparison of simulations with elastic continuum models, which are, in some sense, generic models on a higher coarse-graining level. In many cases, it is possible to bridge quantitatively between generic particle models and continuum models, hence multiscale modeling works on principle. On the other side, generic simulations can help to interpret experiments by providing information that is not accessible otherwise.
引用
收藏
页码:741 / 751
页数:11
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