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. 2004 Aug 4:5:104.
doi: 10.1186/1471-2105-5-104.

Design, implementation and evaluation of a practical pseudoknot folding algorithm based on thermodynamics

Affiliations

Design, implementation and evaluation of a practical pseudoknot folding algorithm based on thermodynamics

Jens Reeder et al. BMC Bioinformatics. .

Abstract

Background: The general problem of RNA secondary structure prediction under the widely used thermodynamic model is known to be NP-complete when the structures considered include arbitrary pseudoknots. For restricted classes of pseudoknots, several polynomial time algorithms have been designed, where the O(n6)time and O(n4) space algorithm by Rivas and Eddy is currently the best available program.

Results: We introduce the class of canonical simple recursive pseudoknots and present an algorithm that requires O(n4) time and O(n2) space to predict the energetically optimal structure of an RNA sequence, possible containing such pseudoknots. Evaluation against a large collection of known pseudoknotted structures shows the adequacy of the canonization approach and our algorithm.

Conclusions: RNA pseudoknots of medium size can now be predicted reliably as well as efficiently by the new algorithm.

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Figures

Figure 1
Figure 1
A simple pseudoknot. A simple pseudoknot, formed by helices a – a' and b – b', with intervening sequences u, v, w. If the internal parts u, v, w contain further secondary structures, we call it a simple recursive pseudoknot.
Figure 2
Figure 2
The boundaries of a pseudoknot. Eight moving boundaries delineating a simple recursive pseudoknot.
Figure 3
Figure 3
The pseudoknot of Hepatitis Delta Virus. On the left side the structure proposed by [32], on the right the MFE-structure predicted by pknotsRG. Our algorithm misses only the short helix 5 and adds 3 basepairs to helix 4. Image created with RnaViz2 [33].
Figure 4
Figure 4
Kissing hairpins and triple helix interaction. Two examples of more complex pseudoknots with three helices: Kissing hairpins (left) and triple helix interaction (right).

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