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

Figure 4

Instantaneous binding energies (), interaction energies (), and deformation energies () of graphene-drug complexes when loading one drug molecule, namely, (a) CE6, (b) DOX, (c) MTX, and (d) SN38, onto the single side of the graphene sheets with sizes of 10–50 Å.

(a)

(b)

(c)

(d)