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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-140 |
| Subject |
Multi-dimensional free energy landscape of DNA hairpin structure with non-canonical base pair |
| Authors |
Hyun Jung Yoon, Sangwook Wu*
Department of Physics, Pukyong National University, Korea
|
| Abstract |
DNA hairpin plays a critical role in the regulation of gene expression and DNA recombination. We studied the stability of the DNA hairpin structure, d(ATCCAT-GTTA-TAGGAT) (PDB id:1AC7) using molecular dynamics (MD) simulation. Despite the non-canonical Watson-Crick base pair (G:A) in the tetraloop (GTTA), we found that the conformation of the DNA hairpin more stable than the conformation of canonical Watson-Crick base pair (G:C) in the tetra loop. In this study, we attempted to understand the origin of the stability of DNA hairpin with 2-dimensional free energy landscape in the conformational space composed of dihedral angles along DNA backbone chain. Based on the representative structures of two different DNA hairpin structure using MSMBuilder on the free energy landscape, we investigated the electronic property of the the non-canonical Watson-Crick base pair of the tetraloop (GTTA). |
| E-mail |
hjyoon105@naver.com |
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121st General Meeting of the KCS