| ชื่อเรื่อง | : | Folding and thermodynamic studies of Trp-cage based on polarized force field |
| นักวิจัย | : | Mei, Ye , Wei, Caiyi , Yip, Yew Mun , Ho, Chun Ying , Zhang, John Z. H. , Zhang, Dawei |
| คำค้น | : | - |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2555 |
| อ้างอิง | : | Mei, Y., Wei, C., Yip, Y. M., Ho, C. Y., Zhang, J. Z. H., & Zhang, D. (2012). Folding and thermodynamic studies of Trp-cage based on polarized force field. Theoretical Chemistry Accounts, 131(3). , 1432-881X , http://hdl.handle.net/10220/11848 , http://dx.doi.org/10.1007/s00214-012-1168-0 |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | Theoretical chemistry accounts |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | Two replica exchange molecular dynamics (REMD) simulations were carried out to study the thermodynamics of a 20-residue Trp-cage folding based on a newly developed polarized protein-specific charge (PPC). Starting from a fully extended conformation, Trp-cage native conformation was successfully sampled using REMD based on a 3-step PPC update. Next, the obtained Trp-cage folded conformation was then used to calculate the PPC in which another REMD was performed to explore the thermodynamic stability of Trp-cage. The theoretical melting temperature T m of ≈325 K was found to be in close agreement with experimental melting temperature, T m of 315 K. This indicates that the PPC was correctly predicting the temperature dependence. The current study provides a direct proof of how electrostatic polarization affects protein folding. |
| บรรณานุกรม | : |
Mei, Ye , Wei, Caiyi , Yip, Yew Mun , Ho, Chun Ying , Zhang, John Z. H. , Zhang, Dawei . (2555). Folding and thermodynamic studies of Trp-cage based on polarized force field.
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Mei, Ye , Wei, Caiyi , Yip, Yew Mun , Ho, Chun Ying , Zhang, John Z. H. , Zhang, Dawei . 2555. "Folding and thermodynamic studies of Trp-cage based on polarized force field".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Mei, Ye , Wei, Caiyi , Yip, Yew Mun , Ho, Chun Ying , Zhang, John Z. H. , Zhang, Dawei . "Folding and thermodynamic studies of Trp-cage based on polarized force field."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print. Mei, Ye , Wei, Caiyi , Yip, Yew Mun , Ho, Chun Ying , Zhang, John Z. H. , Zhang, Dawei . Folding and thermodynamic studies of Trp-cage based on polarized force field. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.
|
ridm@nrct.go.th ระบบคลังข้อมูลงานวิจัยไทย รายการโปรดที่คุณเลือกไว้
