Application of numerical optimization methods to molecular docking on graphics processing units
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URI (для ссылок/цитирований):
https://link.springer.com/article/10.3103/S0146411616070051https://elib.sfu-kras.ru/handle/2311/69846
Дата:
2016-12Журнал:
Automatic Control and Computer SciencesКвартиль журнала в Scopus:
Q3Квартиль журнала в Web of Science:
без квартиляБиблиографическое описание:
Farkov, M. A. Application of numerical optimization methods to molecular docking on graphics processing units [Текст] / M. A. Farkov, A. I. Legalov // Automatic Control and Computer Sciences. — 2016. — Т. 50 (№ 7). — С. 471-476Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.
Аннотация:
This paper is devoted to analyzing numerical optimization methods for solving the problem of molecular docking. Some additional requirements for optimization methods that take into account certain architectural features of graphics processing units (GPUs) have been formulated. A promising optimization method for use on graphics processors has been selected, its implementation is described, and its efficiency and accuracy have been estimated.