Solvation effects on free energy surface of polyalanine


GÖKOĞLU G., Arkin H., Akturk E., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.16, ss.1489-1496, 2005 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 16 Konu: 9
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1142/s0129183105008072
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Sayfa Sayıları: ss.1489-1496

Özet

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.