Solvation Effects on Free Energy Surface of Polyalanine

Details Solvation Effects on Free Energy Surface of Polyalanine Solvation Effects on Free Energy Surface of Polyalanine

2007-03-22

arxiv.org/abs/cond-mat/0703578v1

Int. J. Mod. Phys. C,16 (2005)

Physics

Condensed Matter

Soft Condensed Matter

12pages, 3figures

Scientific paper

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.

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