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Biophys J, June 2002, p. 3269-3276, Vol. 82, No. 6

Solvation Model Dependency of Helix-Coil Transition in Polyalanine

Yong Peng and Ulrich H. E. Hansmann

Department of Physics, Michigan Technological University, Houghton, Michigan 49931-1291 USA

Helix-coil transitions in polyalanine 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.

Biophys J, June 2002, p. 3269-3276, Vol. 82, No. 6
© 2002 by the Biophysical Society   0006-3495/02/06/3269/08  $2.00


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