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. 2013 Jun 6;8(6):e64746. doi: 10.1371/journal.pone.0064746

Figure 2. Tension propagation from MD simulations and comparison to dynamic bead-spring and semiflexible chain models.

Figure 2

(a) Tension evolution as predicted by a bead-spring model (colored curves) fitted to the tension in AlaInline graphic as obtained from MD simulations (colored diamonds). Coloring red, yellow, green yellow, blue and purple show residue pairs 1–2, 4–5, 7–8, 10–11, 15–16 and 20–21, respectively. A manually reduced friction coefficient was used to map the WLC model and numerical results. We note that here forces were averaged over 100 fs time periods for clarity. (b) Tension evolution from the dynamic WLC model (colored curve) fitted to the tension in AlaInline graphic as obtained from MD simulations (colored diamonds). Coloring and averaging as in (a). (c) Boundary layer size Inline graphic relative to the contour length Inline graphic obtained from MD simulations shown in blue. Numeric solution to the dynamic WLC model prediction in green and Inline graphic growth law in black. (d) Extension Inline graphic shown as black dots compared to two growth laws, Inline graphic in blue and Inline graphic in red.