Determination of DPD Model Aiming Biomedical Application

نویسندگان

  • Hiroshi IRISA
  • Takehiko YOKOMINE
چکیده

The application of the Metropolis Monte Carlo method to the optimization of the repulsion parameter in Dissipative Particle Dynamics (DPD) simulation of nano-particle coated with dextran particle which is a contrast agent for MR and will be applied as a carrier in Drug Delivery System was discussed. In the method where several molecules are included in one DPD bead, conventional procedure doesn’t give adequate interaction parameters. By using the alternative parameters based on proposed modified sampling method, corresponding simulation gave more proper results reproducing available experimental data.

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تاریخ انتشار 2010