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Solvation model dependency of helix-coil transition in polyalanine

Y. Peng·U. H. E. Hansmann
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Abstract

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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Y. Peng, U. H. E. Hansmann. 2002-02-11. Solvation model dependency of helix-coil transition in polyalanine. https://doi.org/10.1016/s0006-3495(02)75668-3

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