Fig. 11.

(a) pDal molecular structure. (b) cylindrical and twisted nanofibers as seen using TEM (red arrows indicate twisted nanofibers). (c) snapshots from molecular simulations of the self-assembly of pDal nanofibers starting from a random configuration. (d) 2 nm length cross section of the nanofiber formed during simulation, revealing the wrapping around of the peptide moiety (shown in purple) around the fiber axis; the hydrophobic core shown in cyan. (e) pairwise radial distribution function for the TYR backbone bead with respect to all other amino acid backbone beads in a nanofiber. (f) Idealized nanofiber structure with the pDal molecules arranged. (g) Pairwise radial distribution function g(r) between the ARG backbone bead and the TYR backbone bead, calculated over five different time periods of the simulation [115]. (Copyright ^© 2013 American Chemical Society).