Abstract
A lipid monolayer lining a boundary between two immiscible phases forms a complex interface with inhomogeneous distribution of forces. Unlike lipid bilayers, monolayers are formed in asymmetric environment and their properties depend strongly on lipid surface density. The monolayer properties are also affected significantly by the representation of the pure interface. Here we give a brief theoretical introduction and describe methods to simulate lipid monolayers starting from force-fields and system setup to reproducing state points on the surface tension (pressure)–area isotherms and transformations between them.
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Acknowledgments
SB is supported by postdoctoral fellowship from the Alberta Heritage Foundation for Medical Research (AHFMR). DPT is an Alberta Ingenuity Health Solutions Scientist and Alberta Ingenuity Technology Futures Strategic Chair in (Bio)Molecular Simulation. This work was supported by the Natural Sciences and Engineering Research Council (Canada).
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Baoukina, S., Tieleman, D.P. (2013). Simulations of Lipid Monolayers. In: Monticelli, L., Salonen, E. (eds) Biomolecular Simulations. Methods in Molecular Biology, vol 924. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-017-5_16
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DOI: https://doi.org/10.1007/978-1-62703-017-5_16
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