Conformational Analysis Of Cyclic Dipeptides With Non-Standard Geometry Of Molecular Skeleton
Arhipova S.F., Artemiev I.V., Goryacheva E.A., Pletnev V.Z.
"Математика. Компьютер. Образование". Cб. трудов XV международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2008. Vol. 3, 200pp. Pp. 45-53. (accepted)
Conformational analysis of two pairs of synthetic cyclodipeptides formed via interaction of the side chain functional groups, as well as via those of the main and side chains, has been performed by molecular mechanics method. The energy optimal conformational states of the molecules under study have been determined. It has been shown that conformational flexibility of molecular cyclic system depends on the relative position of the amide groups and the number of atoms in the cycle
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