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. Author manuscript; available in PMC: 2015 May 11.
Published in final edited form as: Chem Soc Rev. 2014 Apr 23;43(13):4871–4893. doi: 10.1039/c4cs00048j

Fig.3.

Fig.3

Amyloids. (A) The β-barrel of the β2m(82-87) peptide as predicted by OPEP.79,143 (B) The hexamer of the KV11 peptide consisting of six antiparallel β strands forming a barrel as determined by X-ray crystallography.144 (C) The predicted OPEP antiparallel double stranded poly-L-glutamine nanotube.145 (D) Two binding modes of the NQTrp drug to the Aβ17-42 trimer as predicted by our multiscale simulation. The yellow balls indicate the 17th amino acids and the drug is shown with all-atoms.96 Top view also shows all atoms of A21 and E22; bottom view shows all atoms of E22 (blue) and V39 (green).