Supplementary Figure 6: Error analysis of MFPT calculations.
From: Structure-guided simulations illuminate the mechanism of ATP transport through VDAC1
(a,c) Distributions of the MFPT of ATP permeation from the cytoplasm to the IMS, and IMS to the cytoplasm, respectively, were calculated from 1000 bootstrap samples of the simulation trajectory set. (b,d) The sorted MFPTs calculated from each bootstrap sample. The mean MFPT of the distributions in a and c are indicated by a black horizontal line, while the bounds of the 95% confidence intervals are shown as dashed lines. Varying the cluster radii and lag time used to generate the MSM illustrates the sensitivity of the model to these parameters. (e) MFPTs as a function of cluster radius size for the original data set of trajectories calculated at a fixed lag time of 5 ns. (f) MFPTs as a function of lag time for the original data set of trajectories calculated at a fixed cluster radius size of 6.5 Å.
