Тип публикации: статья из журнала
Год издания: 2016
Идентификатор DOI: 10.3103/S0146411616070051
Ключевые слова: CUDA, differential evolution, GPU, molecular docking, protein–ligand docking, virtual screening, protein-ligand docking
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. © 2016, Allerton Press, Inc.
Журнал: Australian Journal of Political Science
Выпуск журнала: Vol. 50, Is. 7
Номера страниц: 471-476