Title

Solvation model dependency of helix-coil transition in polyalanine

Document Type

Article

Publication Date

1-1-2002

Abstract

Helix-coil transitions in polyalanine molecules of length 10 are studied by multicanonical Monte Carlo simulations. The solvation effects are included by either a distance-dependent dielectric permittivity or by a term that is proportional to the solvent-accessible surface area of the peptide. We found a strong dependence of the characteristics of the helix-coil transition from the details of the solvation model.

Publication Title

Biophysical Journal

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