| 세션명 | 대학원생 구두발표(코스맥스) |
|---|---|
| 발표장 | 제6회장 |
| 논문코드 | OC-8 |
| 발표일 | 2024-04-3 |
| 발표시간 | 17:00-17:15 |
| 논문제목 | Exploring the Self-Assembly Dynamics of Lipid-Modified DNA and Its Interaction with Bilayer Membranes through Coarse-Grained Molecular Dynamics Simulation |
| 발표자 | 전은률 |
| 발표자 소속 | 부경대학교 |
| 저자 | 전은률, 최열교1, 곽민석† |
| 소속 | 부경대학교; 1Lehigh University |
| 논문초록 | In this study, we investigate the behavior of an amphiphilic single-stranded DNA (U4T), comprised of both hydrophilic and lipophilic segments (lipid-modified DNA), through molecular dynamics (MD) simulation. Our findings reveal the spontaneous self-assembly of U4T, forming spherical micelles with a lipophilic core in aqueous environments. Furthermore, we explore the implications of U4Ts on cell permeability, elucidating their interaction with lipid-modified DNA and cell membranes. Through coarse-grained (CG) simulations, we observe the aggregation of U4Ts, which persist throughout the simulation, highlighting their robust self-assembling properties. Additionally, both all-atom (AA) and CG simulations demonstrate the interaction between U4Ts and DOPC bilayers, with U4Ts effectively docking into the bilayer and maintaining stability over time. Our findings underscore the potential of U4Ts to aggregate into stable micelles and interact with cellular membranes, offering insights into their promising applications. |
THE POLYMER SOCIETY OF KOREA