[17a-E302-1~11] 12.6 Nanobiotechnology

[17a-E302-2] Parameter development for DPD simulation of microdomain in lipid bilayers with effective parameter based on fragment molecular orbital calculation

〇Hideo Doi¹, Yushi Osada¹, Yusuke Tachino¹, Koji Okuwaki¹, Melvin Goh², Ryugo Tero², Yuji Mochizuki^1,3 (1.Rikkyo Univ., 2.Toyohashi Tech., 3.Univ. Tokyo)

Keywords:Lipid bilayer, microdomain, DPD

Microdomains such as lipid raft in lipid bilayers are known to play important roles in cell membrane reactions, such as reaction sites for energy transfer. It is also known that microdomain formation depends on the ratio of saturated lipids, unsaturated lipids, and cholesterol in the lipid bilayer. In this study, we develop and validate parameters for DPD simulations based on these effective interactions between molecules.