Research and Development of DDS Simulator

Research Project Outline

In this research project, we will develop a multi-scale simulation methodology for active targeting drug delivery system (DDS) consisting of a liposome and sugar chain. This simulation methodology based on the fragment molecular orbital method, molecular simulation and fluid dynamics enables us to do (1) design of DDS nanoparticle, (2) analysis of molecular interaction between lectin protein and sugar chain, and (3) flow analysis of DDS nanoparticles in a blood vessel, which are essential for the DDS development. Also, we will provide the basis for a general DDS design by developing DDS simulator which integrates these simulation methodologies.

Research Director
Deputy Director, Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST)
Research Started
Research Area
High Performance Computing for Multi-Scale and Multi-Physics Phenomena
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Research Areas Completed
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