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|
| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-138 |
| Subject |
Simulation studies on the translocation dynamics and free energy of a single polymer: the effect of solvent quality |
| Authors |
Seulki Kwon, Bong June Sung*
Department of Chemistry, Sogang University, Korea
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| Abstract |
The translocation of a single polymer across a membrane through a narrow pore has been extensively studied due to its relevance to crucial biological phenomena and industrial applications such as a transport of protein or DNA through cell membranes and DNA/RNA sequencing techniques. Because the number of available conformations of the polymer is reduced during its translocation, a high entropic barrier for the polymer translocation naturally appears.The rate of the translocation is strongly dependent on the free energy profile of translocation, which is determined by many factors including an external force, geometry of a membrane or nanopore, polymer-membrane or polymer-pore interactions. Especially, the solvent quality can directly affect polymer conformations and the translocation free energy, however, its effect on translocation dynamics is not completely understood. Therefore, in this study, the translocation of a single polymer in different types of solvent and its free energy profiles are systematically investigated by performing langevin dynamics (LD) and steered molecular dynamics (SMD) simulations. As the solvent quality changes from good to poor, the conformation of the polymer changes from swollen coil to compact globule. Simulation results show that the translocation rate shows non-monotonic dependence on the solvent quality and that the non-monotonic translocation time highly depends on the length of a polymer (N) and a magnitude of driving force (F), which can be explained well by the calculated free energy profile. |
| E-mail |
ksulgio7@sogang.ac.kr |
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121st General Meeting of the KCS