Abstract
Finding a solution to the protein folding problem has been steadily pursued for decades. Unlocking the mysteries of the three-dimensional structure of these large and very important biological molecules could bring with it revolutionary methods of drug development among countless unforeseen benefits. In this study, ab initio methods are used to examine precise structural features of the peptide bond in a series of dipeptides in an effort to clarify the effects of local interactions in a peptide system. Bond lengths, angles, dihedral angles, and rotation barriers about the peptide bond are presented for a series of dipeptides with a discussion of the results.
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