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Journal Article

Kinetics of formation of bile salt micelles from coarse-grained Langevin Dynamics simulations

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Vila Verde,  Ana
Reinhard Lipowsky, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society;

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2286874_supp.pdf
(Supplementary material), 483KB

Citation

Vila Verde, A., & Frenkel, D. (2016). Kinetics of formation of bile salt micelles from coarse-grained Langevin Dynamics simulations. Soft Matter, 12(23), 5172-5179. doi:10.1039/C6SM00763E.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002A-8B80-C
Abstract
We examine the mechanism of formation of micelles of dihydroxy bile salts using a coarse-grained, implicit solvent model and Langevin Dynamics simulations. We find that bile salt micelles primarily form via addition and removal of monomers, similarly to surfactants with typical head-tail molecular structures, and not via a two-stage mechanism