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. 2016 Sep 6;111(5):937–949. doi: 10.1016/j.bpj.2016.08.001

Figure 1.

Figure 1

Schematic of the experimental design used to examine interpeptide interactions and their potential rearrangements in the presence of membranes. Interpreted from left to right, the far-left segment shows the initial configuration for four Aβ42 peptides placed at least 3 nm apart. Tetramer formation occurred during 1 μs MD simulations. The resulting tetramer was placed 3 nm away from either a POPC or raft model membrane and another 1 μs MD simulation was conducted. Aβ42 is shown as a cartoon, colored by region (blue, residues 1–10; gray, residues 11–16, 22–29; teal, residues 17–21; red, residues 30–42). N- and C-termini are indicated by blue and red spheres, respectively. Membranes are shown as gray sticks, with phosphorus atoms shown as tan spheres for perspective. To see this figure in color, go online.