RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PERSONAL OFFICE
General information
Latest issue
Archive

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Vychisl. Metody Programm.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Vychisl. Metody Programm., 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

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

Full text: PDF file (128 kB)

Document Type: Article
UDC: 519.6
Received: 15.04.2013

Citation: D. A. Zheltkov, E. E. Tyrtyshnikov, “Virtual dimensions in the docking method based on tensor train decompositions”, Vychisl. Metody Programm., 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 Vychisl. Metody Programm.
\yr 2013
\vol 14
\issue 3
\pages 292--294
\mathnet{http://mi.mathnet.ru/vmp115}


Linking options:
  • http://mi.mathnet.ru/eng/vmp115
  • http://mi.mathnet.ru/eng/vmp/v14/i3/p292

    SHARE: VKontakte.ru FaceBook Twitter Mail.ru Livejournal Memori.ru


    Citing articles on Google Scholar: Russian citations, English citations
    Related articles on Google Scholar: Russian articles, English articles

    This publication is cited in the following articles:
    1. I. V. Oferkin, D. A. Zheltkov, E. E. Tyrtyshnikov, A. V. Sulimov, D. K. Kutov, V. B. Sulimov, “Evaluation of the docking algorithm based on tensor train global optimization”, Vestn. YuUrGU. Ser. Matem. modelirovanie i programmirovanie, 8:4 (2015), 83–99  mathnet  crossref  elib
  • Vychislitel'nye Metody i Programmirovanie
    Number of views:
    This page:109
    Full text:60

     
    Contact us:
     Terms of Use  Registration  Logotypes © Steklov Mathematical Institute RAS, 2018