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Conformation And Phase Transition Of Poly-Glutamine

Author

Listed:
  • GÖKHAN GÖKOĞLU

    (Department of Physics Engineering, Hacettepe University, 06800 Beytepe, Ankara, Turkey)

  • TARIK ÇELİK

    (Department of Physics Engineering, Hacettepe University, 06800 Beytepe, Ankara, Turkey)

Abstract

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 atT = 200Kand 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.

Suggested Citation

  • Gökhan Gökoğlu & Tarik Çeli̇k, 2006. "Conformation And Phase Transition Of Poly-Glutamine," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 17(02), pages 235-246.
    • Handle: RePEc:wsi:ijmpcx:v:17:y:2006:i:02:n:s0129183106008893
    DOI: 10.1142/S0129183106008893
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