CONFORMATION AND PHASE TRANSITION OF POLY-GLUTAMINE
Yazarlar (2)
Prof. Dr. Gökhan GÖKOĞLU
Hacettepe Üniversitesi, Türkiye
Hacettepe Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | International Journal of Modern Physics C |
| Dergi ISSN | 0129-1831 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2006 |
| Cilt No | 17 |
| Sayı | 2 |
| Sayfalar | 235 / 246 |
| DOI Numarası | 10.1142/S0129183106008893 |
| Makale Linki | http://www.worldscientific.com/doi/abs/10.1142/S0129183106008893 |
| Özet |
| In order to provide insights into the misfolding mechanism and the subsequent aggregate formation which cause what are known as the neurodegenerative polyglutamine diseases, we have simulated a 10-residue polyglutamine (poly-Q) chain in vacuum and in solvent by multicanonical method, which enabled us to study the system in a wide temperature range and discuss thermodynamic properties. It is understood that the system in vacuum shows two phase transitions, first of them occur at high temperature that is the well-known helix-coil transition and the second one is a solid-solid transition. However, the poly-Q chain in solvent is in a random coil state at higher temperatures, goes through a conformational change at T = 200 K and assumes predominantly a mixture of anti-parallel β-sheet and α-helix structures at low temperatures. One-residue glutamine dipeptide is also simulated and low-energy stable conformations are identified. © World Scientific Publishing Company. |
| Anahtar Kelimeler |
| Aggregation | Multicanonical simulations | Phase transition | Polyglutamine |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 3 |
| SCOPUS | 3 |
| Google Scholar | 2 |