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We study helix-coil transitions in an all-atom model of polyalanine.Molecules of up to length 30 residues are investigated by multicanonicalsimulations. Results from two implicit solvent models are compared with eachother and with that from simulations in gas phase. While the helix-coiltransition is in all three models a true thermodynamic phase transition, wefind that its strength is reduced by the protein-solvent interaction term. Theorder of the helix-coil transition depends on the details of the solvationterm.Comment: 19 pages, 11 figure

Solution effects and the order of the helix–coil transition in polyalanine