Vesicle Monte Carlo simulations

A multitude of different variants of this model has been investigated using Monte Carlo simulations (see, for example [M])- The studies aim at correlating the phase behaviour with the molecular architecture and revealing the local structure of the aggregates. This type of model has also proven useful for studying rather complex structures (e.g., vesicles or pores in bilayers). 

Fig. 3 a Model of vesicle rupture induced by adhesion involving two rate constants fcaj represents the adsorption rate determined by the interaction potential and fcrup, the constant of vesicle rupture, b Surface coverage after different time periods during the Monte Carlo simulation, c Impact of increasing fc up on the frequency shift of the QCM covered with biotinylated vesicles... 

Fig. 4 Results of fitting fc up and to find best accordance between the dynamic Monte Carlo simulations and experiments, in this particular case, POPC vesicles were doped with 5mol% of biotinyl Cap DOPE and the frequency change of a 5-MHz quartz plate functionalized with avidin was read out. The solid line is the result of the Monte Carlo simulation...

S. C. Ji, J. D. Ding, Spontaneous formation of vesicles frommixed amphiphiles with dispersed molecular weight Monte Carlo simulation, Langmuir, 2006, 22, 553-559. 

Piotto, S., Mavelli, F. Monte Carlo simulations of vesicles and fluid membranes transformations. Orig. life Evol. Biosph. 34(1-2), 225-235 (2004)... 

Keywords Block copolymers, Coarse-grained models, Collective phenomena. Computer simulation, Fusion, Lipid membranes, Monte Carlo techniques, Poly-mersome, Pore formation, Self-assembly, Self consistent field theory, Vesicle... 

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