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. Author manuscript; available in PMC: 2022 Dec 22.
Published in final edited form as: Phys Chem Chem Phys. 2021 Dec 22;24(1):86–97. doi: 10.1039/d1cp04246g

Figure 5. Interactions between Aβ-m and a graphene quantum dot.

Figure 5.

(A) Structure of the GQD used in the simulations. Time evolution of (B) distance between each Aβ residue and the GQD and (C) secondary structure of Aβ-m peptides from a typical DMD simulation trajectory. (D) Snapshots of the interaction process shown in B and C. The GQD was represented by sticks and Aβ-m was shown as cartoon with the N-terminus indicated by a sphere. (E) β-sheet propensity of each Aβ-m residue in the absence and presence of the GQD. (F) Secondary structure contents of Aβ-m with and without the GQD. (G) Binding frequency of each Aβ-m residue with the GQD.