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We use a one-dimensional two layer model with a semi-permeable membrane tostudy the diffusion of a therapeutic drug delivered from a drug-eluting stent(DES). The rate of drug transfer from the stent coating to the arterial wall iscalculated by using underdamped Langevin dynamics simulations. Our resultsreveal that the membrane has virtually no delay effect on the rate of deliveryfrom the DES. The work demonstrates the great potential of underdamped Langevindynamics simulations as an easy to implement, efficient, method for solvingcomplicated diffusion problems in systems with a spatially-dependent diffusioncoefficient.

Application of underdamped Langevin dynamics simulations for the study of diffusion from a drug-eluting stent