Biopolym. Cell. 1998; 14(4):360-370.
http://dx.doi.org/10.7124/bc.0004E0
Внутрішньомолекулярні водневі зв'язки та структурна нежорсткісті піримідинових нуклеозидів
1Міщук Я. Р., 1Говорун Д. М.
  1. Інститут молекулярної біології і генетики НАН України
    Вул. Академіка Заболотного, 150, Київ, Україна, 03680

Abstract

Оптимізовані структури цитидину, уридину і тимідину, їхніх дезоксирибо-аналогів та деяких О5', О3'-депротонованих похідних отримані за допомогою напівемпіричного квантовохімічного методу MNDO/H. Виявлено сітки внутрішньомолекулярних водневих зв'язків піримідинових нуклеозидів та вивчено їхній вплив на. стереохімічну структуру молекул (зокрема, на стабільність anti-конформації), фізико-хімічіні параметри /теплоту утворення, дипольний момент, потенціал, іонізації та розподіл зарядів), а також на динамічні характеристики піримідинових нуклеозидів (бар'єри інтер конверсії, частоти торсійних коливань). Обговорюється присутність внушріишьомолекулярних водневих зв'язків у полі нуклеоіпидах та їхнє значения у формуванні, структури та нелінійної динаміки нуклеїнових кислот.
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