 | Comparison of the helical peptide-nanotube crossing angle measured using molecular dynamics simulations (panel A: 11-17 degrees) and using transmission electron microscopy (panel B: 10-20 degrees). |
r> | Snapshots from MD simulations for pentamer/(6,6) SWNT (A and B) and hexamer/
(8,8) SWNT (C and D) systems. A and C illustrate the initial conformations, whereas B and D illustrate the final conformations. |
 | A bundle of 6 nano1 peptides around an (8,8) single wall carbon nanotube. |
 | Representative nano-1 configurations from the MD simulations for water/benzene (A and B), water/graphite (C and D), and water/nanotube (E and F) interfaces. For each
system, two different views are shown: (A), (C), and (E) display the systems approximately edge on to the water/hydrophobic interface; (B), (D),
and (F) display the systems rotated slightly to give a different perspective of how the peptide interacts with the three hydrophobic surfaces. |
 | Illustration of carbon nanotube solubilization by cyclic peptides. |
 | Beta-sheet like hydrogen-bonding between nanotube-wrapped peptides. |
 | Different hydrogen-bonding configurations between nanotube-wrapped peptides. |