| ชื่อเรื่อง | : | Solvent effect on the folding dynamics and structure of E6-associated protein characterized from Ab initio protein folding simulations |
| นักวิจัย | : | Xu, Zhijun , Lazim, Raudah , Sun, Tiedong , Mei, Ye , Zhang, Dawei |
| คำค้น | : | DRNTU::Science::Biological sciences. |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2555 |
| อ้างอิง | : | Xu, Z., Lazim, R., Sun, T., Mei, Y., & Zhang, D. (2012). Solvent effect on the folding dynamics and structure of E6-associated protein characterized from ab initio protein folding simulations. The Journal of Chemical Physics, 136(13), 135102. , 0021-9606 , http://hdl.handle.net/10220/9339 , http://dx.doi.org/10.1063/1.3698164 |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | The journal of chemical physics |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | Solvent effect on protein conformation and folding mechanism of E6-associated protein (E6ap) peptide are investigated using a recently developed charge update scheme termed as adaptive hydrogen bond-specific charge (AHBC). On the basis of the close agreement between the calculated helix contents from AHBC simulations and experimental results, we observed based on the presented simulations that the two ends of the peptide may simultaneously take part in the formation of the helical structure at the early stage of folding and finally merge to form a helix with lowest backbone RMSD of about 0.9 Å in 40% 2,2,2-trifluoroethanol solution. However, in pure water, the folding may start at the center of the peptide sequence instead of at the two opposite ends. The analysis of the free energy landscape indicates that the solvent may determine the folding clusters of E6ap, which subsequently leads to the different final folded structure. The current study demonstrates new insight to the role of solvent in the determination of protein structure and folding dynamics. |
| บรรณานุกรม | : |
Xu, Zhijun , Lazim, Raudah , Sun, Tiedong , Mei, Ye , Zhang, Dawei . (2555). Solvent effect on the folding dynamics and structure of E6-associated protein characterized from Ab initio protein folding simulations.
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Xu, Zhijun , Lazim, Raudah , Sun, Tiedong , Mei, Ye , Zhang, Dawei . 2555. "Solvent effect on the folding dynamics and structure of E6-associated protein characterized from Ab initio protein folding simulations".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Xu, Zhijun , Lazim, Raudah , Sun, Tiedong , Mei, Ye , Zhang, Dawei . "Solvent effect on the folding dynamics and structure of E6-associated protein characterized from Ab initio protein folding simulations."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print. Xu, Zhijun , Lazim, Raudah , Sun, Tiedong , Mei, Ye , Zhang, Dawei . Solvent effect on the folding dynamics and structure of E6-associated protein characterized from Ab initio protein folding simulations. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.
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