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We have performed multicanonical simulations of hydrophobic-hydrophilicheteropolymers with two simple effective, coarse-grained off-lattice models tostudy the influence of specific interactions in the models on conformationaltransitions of selected sequences with 20 monomers. Another aspect of theinvestigation was the comparison with the purely hydrophobic homopolymer andthe study of general conformational properties induced by the "disorder" in thesequence of a heteropolymer. Furthermore, we applied an optimization algorithmto sequences with up to 55 monomers and compared the global-energy minimumfound with lowest-energy states identified within the multicanonicalsimulation. This was used to find out how reliable the multicanonical methodsamples the free-energy landscape, in particular for low temperatures.

Multicanonical study of coarse-grained off-lattice models for folding heteropolymers