Presentation Information
[17p-K402-3]Detailed analysis of ipid bilayer under applied electric fields using FMO
〇Koji Okuwaki1,2, Ryota Nakajima1, Hideo Doi1, Koji Sumitomo3, Yuji Mochizuki1,4 (1.Rikkyo Univ., 2.JSOL Corp., 3.Univ. Hyogo, 4.Univ. Tokyo)
Keywords:
Electroporation,Lipid bilayer,Molecular simulation
In the field of electroporation technology, which involves applying a electric fields to a lipid bilayer to increase membrane permeability and insert molecules, molecular simulations are expected to elucidate phenomena at the nano level. We have analyzed pore formation in POPC membranes using non-empirical parameters by utilizing FMO-DPD technology, which applies the interactions obtained using FMO to dissipative particle dynamics (DPD). In this study, we report on the results of a detailed analysis of the intermolecular interactions in the pores using FMO by reverse-mapping technology.
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