Fig. 9 | Scientific Reports

Fig. 9

From: Inhibitory mechanisms of amentoflavone on amyloid-β peptide aggregation revealed by replica exchange molecular dynamics

Fig. 9

(A) Representative binding conformations of AMF interacting with the 16KLVFFAEDV24 region of Aβ, extracted from the final equilibrated structures of the Aβ-trimer-AMF-Low system. Key interacting residues, Leu-17, Phe-20, and Val-24, are highlighted. (B) Representative two-layered architecture formed by the 16KLVFFAEDV24 region of Aβ, exhibiting an antiparallel b-sheet arrangement.

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