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arxiv: physics/0202034 · v1 · submitted 2002-02-11 · ⚛️ physics.bio-ph · q-bio

Solvation model dependency of helix-coil transition in polyalanine

classification ⚛️ physics.bio-ph q-bio
keywords helix-coilsolvationmodeltransitionareacarlocharacteristicsdependence
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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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