Molecular Dynamics Study of Stability and Diffusion of Graphene-Based Drug Delivery Systems

Figure 2

Typical atomic structures of graphene-drug complexes (a) CE6₈@Gf₅₀, (b) DOX₈@Gf₅₀, (c) MTX₈@Gf₅₀, and (d) SN38₈@Gf₅₀. The dashed line in the figure presents the intermolecular or intramolecular hydrogen bonding interaction of drug molecules.

(a) (CE6₈)@Gf₅₀

(b) (DOX₈)@Gf₅₀

(c) (MTX₈)@Gf₅₀

(d) (SN38₈)@Gf₅₀