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Numerical methods and programming, 2013, Volume 14, Issue 3, Pages 292–294 (Mi vmp115)  
This article is cited in 1 scientific paper (total in 1 paper)

Вычислительные методы и приложения

Virtual dimensions in the docking method based on tensor train decompositions

D. A. Zheltkova, E. E. Tyrtyshnikovb

a M. V. Lomonosov Moscow State University, Faculty of Computational Mathematics and Cybernetics
b Institute of Numerical Mathematics, Russian Academy of Sciences, Moscow
Full-text PDF (128 kB) Citations (1)
Abstract: A modification of the docking method based on tensor train decompositions using the idea of virtual dimensions adding is proposed to find the position of the energy global minimum for the ligand-protein system. The proposed method is compared with the TTDock (docking based on tensor train decompositions) program, which uses only physical dimensions. According to the testing results, the modified method is 5–10 times faster with the same level of reliability.
Keywords: tensor train decomposition; virtual dimensions; cross interpolation method; global optimization; docking; computer drug design.
Received: 15.04.2013
Document Type: Article
UDC: 519.6
Language: Russian
Citation: D. A. Zheltkov, E. E. Tyrtyshnikov, “Virtual dimensions in the docking method based on tensor train decompositions”, Num. Meth. Prog., 14:3 (2013), 292–294
Citation in format AMSBIB
\Bibitem{ZheTyr13}
\by D.~A.~Zheltkov, E.~E.~Tyrtyshnikov
\paper Virtual dimensions in the docking method based on tensor train decompositions
\jour Num. Meth. Prog.
\yr 2013
\vol 14
\issue 3
\pages 292--294
\mathnet{http://mi.mathnet.ru/vmp115}
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  • https://www.mathnet.ru/eng/vmp115
  • https://www.mathnet.ru/eng/vmp/v14/i3/p292
    • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    		Numerical methods and programming
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    Abstract page:294
    Full-text PDF :102
    References:1
     
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