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Numerical methods and programming, 2013, Volume 14, Issue 3, Pages 279–291 (Mi vmp114)  
This article is cited in 3 scientific papers (total in 3 papers)

Вычислительные методы и приложения

TTDock: a docking method based on tensor train decompositions

D. A. Zheltkova, I. V. Oferkinb, E. V. Katkovab, A. V. Sulimovb, V. B. Sulimovc, E. E. Tyrtyshnikovd

a M. V. Lomonosov Moscow State University, Faculty of Computational Mathematics and Cybernetics
b Dimonta Ltd.
c M.V. Lomonosov Moscow State University, Research Computing Center
d Institute of Numerical Mathematics, Russian Academy of Sciences, Moscow
Full-text PDF (386 kB) Citations (3)
Abstract: A new docking method based on tensor train decomposition is proposed. This method allows one to find the position of the energy global minimum for the ligand-protein system with a high probability. The proposed method is compared with one of the best genetic algorithm docking program SOL. According to the testing results, the docking method based on tensor train decompositions is up to 10 times faster, whereas the energy global optimum is reached with the same probability.
Keywords: tensor train decomposition; cross interpolation method; global optimization; docking; computer drug design.
Received: 09.05.2013
Document Type: Article
UDC: 519.6
Language: Russian
Citation: D. A. Zheltkov, I. V. Oferkin, E. V. Katkova, A. V. Sulimov, V. B. Sulimov, E. E. Tyrtyshnikov, “TTDock: a docking method based on tensor train decompositions”, Num. Meth. Prog., 14:3 (2013), 279–291
Citation in format AMSBIB
\Bibitem{ZheOfeKat13}
\by D.~A.~Zheltkov, I.~V.~Oferkin, E.~V.~Katkova, A.~V.~Sulimov, V.~B.~Sulimov, E.~E.~Tyrtyshnikov
\paper TTDock: a docking method based on tensor train decompositions
\jour Num. Meth. Prog.
\yr 2013
\vol 14
\issue 3
\pages 279--291
\mathnet{http://mi.mathnet.ru/vmp114}
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    • This publication is cited in the following 3 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Numerical methods and programming
     
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