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- W2020998905 abstract "The dynamic stability of cholesterol clusters in DPPC lipid bilayers was investigated by MD simulation. Two parallel simulations were performed at 20 mole % of cholesterol: in one system, cholesterols were initially arranged as clusters, and in the other, cholesterols were randomly placed. Any two cholesterol molecules in the same monolayer are assigned to the same cluster if their lateral separation is less than a predetermined cutoff distance. The results show that cholesterol clusters in DPPC bilayers are unstable and are ready to disperse into individual cholesterol even at the early stage of the simulation. In the cluster system, the average size of cholesterol cluster decreases monotonously and the total number of clusters increases with time, approaching the corresponding values of the random system. In addition, cholesterols in cluster experience more water exposure, and this unfavorable exposure is reduced when individual cholesterols are surrounded by DPPC molecules. The result is consistent with the Umbrella Model, which suggests that, driven by hydrophobic interactions, cholesterols have a strong tendency to avoid forming cluster in a lipid bilayer." @default.
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- W2020998905 date "2009-02-01" @default.
- W2020998905 modified "2023-09-28" @default.
- W2020998905 title "The Dynamic Stability of Cholesterol Clusters in DPPC Lipid Bilayers Studied by Molecular Dynamics Simulation" @default.
- W2020998905 doi "https://doi.org/10.1016/j.bpj.2008.12.3203" @default.
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