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FIGURE 1 Configurations from the MD simulations for the large DMPC bilayer drawn in perspective. (a) Bilayer at equilibrium. (b) Formation of water wires at the initial stage of the electroporation process when the bilayer is subject to a transverse electric field. (c) Formation at a later stage of large water pores stabilized by lipid headgroups. Topology of the water pores (d) top view (e) side view. In the first three panels, water molecules (O, red; H, white), lipid phosphate (yellow), and nitrogen (green) atoms are represented by van der Walls radii, and the acyl chains (cyan) by stick representation. In the last panel, the hydrophilic lipid headgroup (yellow) and the hydrophobic acyl chains (cyan) are represented by van der Walls spheres to underline the topology and nature of the water pores. Due to the use of perspective views, atoms in the front appear bigger than those in the back.
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FIGURE 2 Evolution of A, the average area occupied per lipid (open symbols), and d, the bilayer d-spacing (solid symbols), for the DMPC bilayer system. Records along the simulations include the equilibration stage and the runs corresponding to the electroporation process and that corresponding to the resealing process, respectively, delimited by the vertical line indicating the onset of the field (On) and the offset (Off) or switching off of the field. The simulations corresponding to 0.5 and 1.0 V.nm–1 are displayed in the left and right panels, respectively.
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FIGURE 3 Evolution of A, the average area occupied per lipid (open symbols), and 
the intrinsic electrostatic potential across the membrane (solid symbols), during the electroporation process of the DMPC lipid bilayer. See Fig. 2 for caption details.
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FIGURE 4 Configurations of the DMPC bilayer containing a peptide nanotube channel (blue) drawn in perspective from the MD simulation. (a) Initial, (b) side, and (c) top views of the system at the final stages of the electroporation process under a transverse field of magnitude 1.0 V.nm–1. Note the absence of large water pores in the vicinity of the transmembrane channel.
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FIGURE 5 Configuration (top and side views) of the DNA/lipid system without external field (a and b) and after 2 ns of MD simulations (c and d) of application of the transverse electric field of magnitude 1.0 V.nm–1 drawn in perspective. Note that after electroporation of the membrane, the DNA duplex (yellow and orange) penetrates the lipid core using the existing pore beneath it and is stabilized by lipid headgroups (green).
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