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Modelirovanie i Analiz Informatsionnykh Sistem, 2014, Volume 21, Number 5, Pages 93–101 (Mi mais401)  
This article is cited in 2 scientific papers (total in 2 papers)

Application of numerical optimization methods to perform molecular docking on graphics processing units

A. I. Legalov, M. A. Farkov

Siberian Federal University, Krasnoyarsk
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Abstract: An analysis of numerical optimization methods for solving a problem of molecular docking has been performed. Some additional requirements for optimization methods according to GPU architecture features were speciffed. A promising method for implementation on GPU was selected. Its implementation was described and performance and accuracy tests were performed.
Keywords: GPGPU, CUDA, molecular docking, virtual screening, ligand-protein docking.
Received: 23.08.2014
Document Type: Article
UDC: 004.42
Language: Russian
Citation: A. I. Legalov, M. A. Farkov, “Application of numerical optimization methods to perform molecular docking on graphics processing units”, Model. Anal. Inform. Sist., 21:5 (2014), 93–101
Citation in format AMSBIB
\Bibitem{LegFar14}
\by A.~I.~Legalov, M.~A.~Farkov
\paper Application of numerical optimization methods to perform molecular docking on graphics processing units
\jour Model. Anal. Inform. Sist.
\yr 2014
\vol 21
\issue 5
\pages 93--101
\mathnet{http://mi.mathnet.ru/mais401}
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  • https://www.mathnet.ru/eng/mais/v21/i5/p93
    • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    		Моделирование и анализ информационных систем
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