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Free energy landscape of the Aβ25–35 octamer on a SWNT (3,3) surface along with the structures of SWNT−Aβ25–35 at four different locations. (A) One of the initial state (top view and side view). (B) SWNT-curved β-sheet. (C) SWNT-open β-barrel. (D) SWNT-closed β-barrel. The free energy (in Kcal/mol) is projected onto the number of intersheet backbone H-bonds and Rg-HP. The data are constructed using 11 independent MD runs leading to β-barrel formation.
