Fig. 6: Coarse-grained simulations of DNA translocation. | Nature Communications

Fig. 6: Coarse-grained simulations of DNA translocation.

From: Single molecule delivery into living cells

Fig. 6

A Coarse-grained simulation systems consisting of a 2.7 kbp dsDNA molecule (orange) driven out of a nanopipette (grey) by an applied electric potential into an electrolyte solution with and without BSA proteins (blue). Each simulation ensemble (with or without BSA) consisted of 24 independent runs. B Ionic current enhancement as the DNA moved through the pore, averaged over each simulation ensemble. Here and throughout the figure, solid lines depict the ensemble average, whereas shaded regions depict the standard deviation among the simulations. C Number of base pairs having left the pore during the simulations averaged over each ensemble. D Scatter plot showing the elapsed time between the first and last base pair being translocated through the pore in each simulation against the average current enhancement during that time interval. E Radius of gyration of DNA having been translocated through the pore plotted against the number of translocated base pairs (left) or the time since the last base pair was translocated (right). F Distance of the centre of mass of the ejected DNA from the pore aperture, projected along the pore axis and plotted against the number of translocated base pairs (left) or the time since the last base pair was translocated (right). G Number of BSA molecules below the aperture. The number of molecules was analysed in a cylindrical volume sharing the axis of the pore and immediately below the aperture with a 15 nm radius and 30 nm height. The shadings represent the s.d. calculated for 24 independent simulations. Source data are provided as a Source Data file.

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