Solvation Model Dependency of Helix-Coil Transition in Polyalanine

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Solvation model dependency of helix-coil transition in polyalanine.

Helix-coil transitions in polyalanine molecules of length 10 are studied by multi-canonical 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 ...

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ژورنال

عنوان ژورنال: Biophysical Journal

سال: 2002

ISSN: 0006-3495

DOI: 10.1016/s0006-3495(02)75668-3