Abstract
Dissipative particle dynamics (DPD) is a simulation method that has one of its applications in the field of pharmaceutical science and drug delivery. DPD is employed to study morphology and some other characteristics of polymeric nanomicelles. Two systems were considered in this study: system A which includes curcumin, Polycaprolactone (PCL), Polyethylene glycol (PEG) and water beads and system B which includes paclitaxel, Polylactic acid (PLA), PEG and water beads. In this study we focused on the simulation of drug entrapment in polymeric micelles using DPD method. Results indicated that the qualitative comparison of polymeric-micelles with different compositions, after carefully tuning input parameters and simulation conditions, can be successfully performed using DPD. Considering real state of a system for DPD simulation will have a great impact on the reliability of the simulation results.
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