Non-ideal mixing of lipids: a molecular dynamics perspective
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arXiv
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| Hauptverfasser: | , , |
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| Format: | Preprint |
| Veröffentlicht: |
2024
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| _version_ | 1866914931343884288 |
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| author | Berezovska, L. Kociurzynski, R. Thalmann, F. |
| author_facet | Berezovska, L. Kociurzynski, R. Thalmann, F. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_14403 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Non-ideal mixing of lipids: a molecular dynamics perspective Berezovska, L. Kociurzynski, R. Thalmann, F. Soft Condensed Matter Biological Physics Chemical Physics 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. |
| title | Non-ideal mixing of lipids: a molecular dynamics perspective |
| topic | Soft Condensed Matter Biological Physics Chemical Physics |
| url | https://arxiv.org/abs/2408.14403 |