All valence electron band structures of simple periodic protein models

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After a review of the models for the electron structure of proteins it is demonstrated with the aid of semiempirical all-valence crystal orbital calculations on one-dimensional chains and two-dimensional networks of simple homopolypeptides (polyformamide and polyglycine) that the interactions along the main chain of a polypeptide and along the hydrogen bonds perpendicular to it have to be taken into account simultaneously. The results indicate also the nonnegligible effect of second neighbors interactions in the two-dimensional case. Finally, the next necessary steps to approximate the electronic structure of proteins are briefly discussed.