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This article is cited in 1 scientific paper (total in 1 paper)
Effective rigid body search using generalized 5D Fourier transform
A. M. Kazennova, A. E. Alekseenkoa, D. Kozakovb, D. N. Padhornya, Ya. A. Kholodova a Moscow Institute of Physics and Technology, Department of computational mathematics, Russia
b Biomedical Engineering, Boston University, USA
Abstract:
In this work the new effective rigid body search algorithm is developed. The problem of rigid body search often emerges in shape matching, e.g. in protein-protein docking. The proposed method is based on exhaustive search in spherical polar Fourier space and employs 5D generalized FFT to accelerate the calculations. The main advantage of this approach is the fast calculation of multi-property scoring functions, lowering computational costs of high accuracy search.
Keywords:
generalized Fourier transform, fast Fourier transform, spherical Fourier transform, spherical functions, radial harmonics, convolution, 3D shape matching, rigid body search, docking.
Received: 21.11.2013
Citation:
A. M. Kazennov, A. E. Alekseenko, D. Kozakov, D. N. Padhorny, Ya. A. Kholodov, “Effective rigid body search using generalized 5D Fourier transform”, Matem. Mod., 26:12 (2014), 3–13; Math. Models Comput. Simul., 7:4 (2015), 315–322
Linking options:
https://www.mathnet.ru/eng/mm3550 https://www.mathnet.ru/eng/mm/v26/i12/p3
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Abstract page: | 338 | Full-text PDF : | 76 | References: | 49 | First page: | 27 |
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