Figure 2: Molecular dynamics simulation of a structural model for peptoid nanomembranes. | Nature Communications

Figure 2: Molecular dynamics simulation of a structural model for peptoid nanomembranes.

From: Highly stable and self-repairing membrane-mimetic 2D nanomaterials assembled from lipid-like peptoids

Figure 2

(a) Final structure from a 600-ns simulation of a 16 × 6 lattice of the lipid-like Pep-1. Carboxyl residues were in the protonated state, and hydrophilic domains formed strips along the x direction; the middle right panel shows the simplified membrane surface with hydrophilic domains deleted, which shows the anisotropic packing of the N4-Clpe domains of Pep-1 along x- and y directions; the bottom right panel shows a hydrophobic domain of Pep-1 showing the side chain to side chain distance. (b) Simulated X-ray diffraction data for the Pep-1 membrane agrees well with the experimental data.

Back to article page