Russian Journal of Biological Physics and Chemisrty Russian Journal of Biological Physics and Chemisrty АКТУАЛЬНЫЕ ВОПРОСЫ БИОЛОГИЧЕСКОЙ ФИЗИКИ И ХИМИИ 2499-9962 54045 МОЛЕКУЛЯРНАЯ БИОФИЗИКА И ФИЗИКА БИОМОЛЕКУЛ MOLECULAR BIOPHYSICS AND PHYSICS OF BIOMOLECULES МОЛЕКУЛЯРНАЯ БИОФИЗИКА И ФИЗИКА БИОМОЛЕКУЛ MOLECULAR DYNAMICS OF THE MOLECULES CYS-ARG-GLU-LYS-ALA МОЛЕКУЛЯРНАЯ ДИНАМИКА МОЛЕКУЛЫ CYS-ARG-GLU-LYS-ALA Аббасова Г Д Abbasova G J Гаджиева Л С Hajiyeva L S lala-h@mail.ru Бакинский государственный университет ru Baku State University ru Бакинский государственный университет ru Baku State University ru 25 06 2016 25 06 2016 1 1 267 269 20 06 2016 20 06 2016 https://rusjbpc.ru/en/nauka/article/54045/view

Полуэмпирическим методом квантовой химии CNDO и методами молекулярной динамики исследованы электронная структура, молекулярно-динамические и электронно-конформационные свойства молекулы CREKA. Были выявлены относительно консервативные и чувствительные к конформационным перестройкам участки молекулы.

The electronic structure, molecular dynamics and conformational properties of electron-molecule CREKA are researched by Half-empirical methods of quantum chemistry CNDO and methods of molecular dynamics. Relatively conservative and sensitive to conformational rearrangements portions of the molecule have been identified.

 CREKA конформация пептидные молекулы метод CNDO конформационно-динамических свойства CREKA conformation the peptide molecule CNDO method conformational and dynamic properties

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