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In the present paper we present results of calculations obtained with the useof the theoretical method described in our preceding paper [1] and performdetail analysis of alpha helix-random coil transition in alanine polypeptidesof different length. We have calculated the potential energy surfaces ofpolypeptides with respect to their twisting degrees of freedom and construct aparameter-free partition function of the polypeptide using the suggested method[1]. From the build up partition function we derive various thermodynamicalcharacteristics for alanine polypeptides of different length as a function oftemperature. Thus, we analyze the temperature dependence of the heat capacity,latent heat and helicity for alanine polypeptides consisting of 21, 30, 40, 50and 100 amino acids. Alternatively, we have obtained same thermodynamicalcharacteristics from the use of molecular dynamics simulations and comparedthem with the results of the new statistical mechanics approach. The comparisonproves the validity of the statistical mechanic approach and establishes itsaccuracy.

the european physical journal. d, atomic, molecular and optical physics/the european physical journal. d, atomic, molecular, optical and plasma physics

Alpha helix-coil phase transition: analysis of ab initio theory predictions