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Solvation Effects On Free Energy Surface Of Polyalanine

Author

Listed:
  • GÖKHAN GÖKOĞLU

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

  • HANDAN ARKIN

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

  • ETHEM AKTÜRK

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

  • TARIK ÇELIK

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

Abstract

We have simulated 10-residue polyalanine chain by multicanonical method to visualize the 3D topographic picture of the free energy landscape over the whole range of temperatures, hence to show the funnel along the folding pathway exhaustively. We have simulated and compared the system in vacuo and in solvent, and examined the changes in the free energy landscape due to the solvent effects, which are taken into account by commonly used model Accessible Surface Area.

Suggested Citation

  • Gökhan Gökoğlu & Handan Arkin & Ethem Aktürk & Tarik Çelik, 2005. "Solvation Effects On Free Energy Surface Of Polyalanine," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 16(09), pages 1489-1496.
    • Handle: RePEc:wsi:ijmpcx:v:16:y:2005:i:09:n:s0129183105008072
    DOI: 10.1142/S0129183105008072
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