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Undergraduate Research Opportunities Program

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    Molecular dynamic simulation of MPPC incorporated DPPC to observe effect on permeability
    (Georgia Institute of Technology, 2017-05) Chang, Han Sori
    Liposome is a promising drug delivery system that can encapsulate drug inside whether it is hydrophilic or hydrophobic, avoid response of the body immune system, and safely deliver to the targeting tumor. The permeability of the liposome gets to the peak when it reaches the certain temperature, a gel to liquid crystalline phase transition temperature. However, due to the fact that the phase transition temperature is higher than the body temperature, it is difficult to control release of drug in the body. On the previous research, Needham et al. have shown that the phase transition temperature is lowered when liposome is incorporated with the lysolipid, thus enhancing the permeability. This study simulated MD simulation of lysolipid (MPPC) incorporated bilayer (DPPC), structured in two different configurations: dispersed and island. The 10% MPPC incorporated DPPC bilayer was simulated in two temperatures, 300K and 305K. The properties of the system were analyzed by interface formation energy, density profile, and pair correlation function.