Conference publications

Comparative conformational analysis of isolated rotamers in methylamides of N-acetyl-α-l-amino acids

Kondratiev M. S., Samchenko A. A., Komarov V. M., Kabanov A. V.

Russia, Pushchino

"Математика. Компьютер. Образование". Cб. трудов XIII международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2006. Vol. 2, 498pp. Pp. 444-454.

General structural and thermodynamic features of low-energy conformers in monopeptides of l-amino acids were revealed by using semi-empirical quantum-chemical calculations. We concluded, that primary realization by peptide conformers both helix-like and β-like forms is the internal property of a monopeptide molecular core itself.

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