|
ИСТИНА |
Войти в систему Регистрация |
Интеллектуальная Система Тематического Исследования НАукометрических данных |
||
Optimization of the protocol for small peptide solution structure refinement using NMR restraints in the bath of explicit waterтезисы доклада
- Авторы: Mantsyzov A.B., Istrate A.N., Polshakov V.I.
- Сборник: Book of abstracts of the international conference “Magnetic resonance: fundamental research and pioneering applications"
- Тезисы
- Год издания: 2014
- Место издания: Kazan Federal Universsity Kazan, Russian Federation
- Первая страница: 128
- Последняя страница: 128
- Аннотация: NMR spectroscopy is a widely used approach for protein solution structure calculation. However determination of the conformations for small peptides, which undergo fast molecular motions, remains to be challenge due to the lack of sufficient number of conformational restraints. Here we report the novel protocol for small peptide structure refinement using NMR-derived restraints in explicit water environment. The developed algorithm substantially increases quality of structures, in particular Ramachandran plot statistics, and decreases RMSD for backbone heavy atoms within the family of calculated models. The described protocol can be used for the determination of short peptide solution conformations and for optimization of larger protein models, which contains poorly structures fragments.
- Добавил в систему: Польшаков Владимир Иванович