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. 2019 Jul 23;6:59. doi: 10.3389/fmolb.2019.00059

Figure 2.

Figure 2

(A) Tubular membrane invaginations induced by Shiga toxin. The color code for the beads is the same as in Figure 1B. All atom molecular dynamic simulations were used to obtain local curvature induced by the protein (Pezeshkian et al., 2016). Protein-protein interaction was calibrated using DPD simulations. (B) The final structure of a budding vesicle after a DTS simulation is back-mapped to the particle based CG Martini model.