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

Figure 1

Atomic structures of graphene-drug complex D₁@Gf₂₀. The radius of gyration of the four types of drug molecules is CE6 (4.70 Å), DOX (4.79 Å), MTX (4.99 Å), and SN38 (4.31 Å), respectively. The largest point-to-point distance of these drug molecules is CE6 (14.67 Å), DOX (14.76 Å), MTX (15.33 Å), and SN38 (13.97 Å), respectively.

(a) (CE6₁)@Gf₂₀

(b) (DOX₁)@Gf₂₀

(c) (MTX₁)@Gf₂₀

(d) (SN38₁)@Gf₂₀