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Fig. 3 | BMC Bioinformatics

Fig. 3

From: Implementation of a methodology for determining elastic properties of lipid assemblies from molecular dynamics simulations

Fig. 3

Tilt and splay distributions and fits. Example of the plots automatically generated by the ExtractTiltAndSplayModuli function for the case of a simple DPPC planar bilayer. (a) The distribution of tilts P (θ) with the fitted gaussian G(μ, σ) in green. The mean of the distribution μ is shown as a red dashed line while the fitting interval [μ − σ, μ + σ] is shown as blue dashed lines. (b) Same as (a) but for lipid splays. (c) The PMF for lipid tilts with the corresponding quadratic fit (eq. 2) shown as a dashed red line. (d) The PMF for lipid splays with the corresponding fit (eq. 5) shown as dashed red line. Extracted elastic constants are shown in the legends

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