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arXiv · 2408.14403

Non-ideal mixing of lipids: a molecular dynamics perspective

L. Berezovska·R. Kociurzynski·F. Thalmann
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Abstract

Lipid membranes have complex compositions and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work we attempt to describe the thermodynamics of binary lipid mixtures by mapping coarse-grained molecular dynamics systems to two-dimensional simple fluid mixtures. By computing and analysing the density fluctuations of this model lipid bilayer we determine the numerical value of the quadratic coupling term appearing in a model of regular solutions for the DPPC-DLiPC pair of lipids at three different compositions. Our methodology is general and discussed in detail.

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L. Berezovska, R. Kociurzynski, F. Thalmann. 2024-08-26. Non-ideal mixing of lipids: a molecular dynamics perspective. https://arxiv.org/abs/2408.14403

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