Computational Modeling of Nanoparticle Targeted Drug Delivery

Nanomedicine is a promising application of nanotechnology in medicine, which can drastically improve drug delivery efficiency through targeted delivery. However, characterization of the nanoparticle targeted delivery process under vascular environment is very challenging due to the small scale of nanoparticles and the complex in vivo vascular system. To understand such complicated system, various computational models are developed to help reveal nanoparticle targeted delivery process and design nanoparticles for optimal delivery. This article discusses a few computational tools to model the nanoparticle delivery process and design nanoparticles for efficient targeted delivery. The modeling approaches span from continuum vascular flow, particle Brownian adhesion dynamics, to molecular level ligand-receptor binding. Computer simulation is envisioned to be able to optimize drug carrier design and predict drug delivery efficiency for patient specific vascular environment.

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