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

Shaked Regev and Oded Farago

Physica A: Statistical Mechanics and its Applications, 2018, vol. 507, issue C, 231-239

Abstract: We use a one-dimensional two layer model with a semi-permeable membrane to study 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 is calculated by using underdamped Langevin dynamics simulations. Our results reveal that the membrane has virtually no delay effect on the rate of delivery from the DES. The work demonstrates the great potential of underdamped Langevin dynamics simulations as an easy to implement, efficient, method for solving complicated diffusion problems in systems with a spatially-dependent diffusion coefficient.

Keywords: Langevin dynamics simulations; Heterogeneous diffusion; Layered systems; Drug eluting stent; Semi-permeable membrane (search for similar items in EconPapers)
Date: 2018
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:507:y:2018:i:c:p:231-239

DOI: 10.1016/j.physa.2018.05.082

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