Solvation model dependency of helix-coil transition in polyalanine

Details Solvation model dependency of helix-coil transition in polyalanine Solvation model dependency of helix-coil transition in polyalanine

2002-02-11

arxiv.org/abs/physics/0202034v1

Biophysical Journal vol. 82 (2002) 3269-3276

Physics

Biological Physics

to appear in Biophysical Journal

Scientific paper

10.1016/S0006-3495(02)75668-3

Helix-coil transitions in poly-alanine 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.

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