Figure 2
From: Subdiffusion in Membrane Permeation of Small Molecules
Calculated diffusivity and its dependence on the lag time.
(A) D(z) as calculated by the Bayesian scheme described in the text for several different lag times, Δt. For comparison, gray-filled symbols show D(z) as calculated from the mean squared displacement of methanol molecules in a simulation containing an aqueous solution of 5% methanol by mass. (B) Variation of the mean D(z) on three different regions of z as a function of the lag time. Note that both axes have logarithmic scales. Error bars are standard errors. (C) Normalized correlation of consecutive methanol displacements as a function of position z. In the simulations from which this was calculated, the diffusion occurred on an effectively flat free-energy landscape (obtained by applying the negative of the PMF shown in Fig. 1). The lag time between the displacements is indicated by the same color scheme used in panel A. For reference, the symbols show the correlation of consecutive displacements for an ideal Brownian dynamics trajectory of equal length with D(z) equal to that shown in panel A for a lag time of 64 ps.
