%0 Journal Article
%J Chemical Physics Letters
%D 2010
%T Polymerization dependence of the entropy of homo-oligomer peptides
%A Viskolcz, Bela
%A Csizmadia, Imre G.
%A Jensen, Svend J. Knak
%A Perczel, Andras
%P 30-32
%V 501
%X Statistical mechanical principles are used to derive the approximate relationship of c1 + c2ln(n) + c3n for the entropy of homo-oligo peptides with n residues, where c1, c2 and c3 are constants for a specific polypeptide chain. The relationship is tested in the range 1 n 34 against entropy data derived from electron structure calculations completed both at the Hartree-Fock and the density functional levels of theory. We have found that the above equation provides a good representation of the entropy of oligoglycine and oligoalanine model systems when they fold from an extended-like to a helical conformation.