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To understand and engineer biological and artificial nucleic acid systems, algorithms are employed for prediction of secondary structures at thermodynamic equilibrium. Dynamic programming algorithms are used to compute the most favoured, or…

Computational Complexity · Computer Science 2025-06-25 Gwendal Ducloz , Ahmed Shalaby , Damien Woods

It has been shown that minimum free energy structure for RNAs and RNA-RNA interaction is often incorrect due to inaccuracies in the energy parameters and inherent limitations of the energy model. In contrast, ensemble based quantities such…

Biomolecules · Quantitative Biology 2013-01-09 Hamidreza Chitsaz , Elmirasadat Forouzmand , Gholamreza Haffari

We describe a dynamic programming algorithm for predicting optimal RNA secondary structure, including pseudoknots. The algorithm has a worst case complexity of ${\cal O}(N^6)$ in time and ${\cal O}(N^4)$ in storage. The description of the…

Biological Physics · Physics 2009-09-25 Elena Rivas , Sean R. Eddy

Recently several minimum free energy (MFE) folding algorithms for predicting the joint structure of two interacting RNA molecules have been proposed. Their folding targets are interaction structures, that can be represented as diagrams with…

Combinatorics · Mathematics 2010-06-22 Thomas J. X. Li , Christian M. Reidys

In this paper we present a selfcontained analysis and description of the novel {\it ab initio} folding algorithm {\sf cross}, which generates the minimum free energy (mfe), 3-noncrossing, $\sigma$-canonical RNA structure. Here an RNA…

Combinatorics · Mathematics 2008-09-30 Fenix W. D. Huang , Wade W. J. Peng , Christian M. Reidys

RNA secondary structure prediction is widely used to understand RNA function. Recently, there has been a shift away from the classical minimum free energy (MFE) methods to partition function-based methods that account for folding ensembles…

Biomolecules · Quantitative Biology 2024-02-08 He Zhang , Liang Zhang , David H. Mathews , Liang Huang

We present McGenus, an algorithm to predict RNA secondary structures with pseudoknots. The method is based on a classification of RNA structures according to their topological genus. McGenus can treat sequences of up to 1000 bases and…

Biomolecules · Quantitative Biology 2013-02-18 M. Bon , C. Micheletti , H. Orland

Many computerized methods for RNA-RNA interaction structure prediction have been developed. Recently, $O(N^6)$ time and $O(N^4)$ space dynamic programming algorithms have become available that compute the partition function of RNA-RNA…

Mathematical Physics · Physics 2010-07-15 Andrew X. Li , Manja Marz , Jing Qin , Christian M. Reidys

An RNA sequence is a word over an alphabet on four elements $\{A,C,G,U\}$ called bases. RNA sequences fold into secondary structures where some bases match one another while others remain unpaired. Pseudoknot-free secondary structures can…

Data Structures and Algorithms · Computer Science 2018-03-28 Édouard Bonnet , Paweł Rzążewski , Florian Sikora

Background: We study the sparsification of dynamic programming folding algorithms of RNA structures. Sparsification applies to the mfe-folding of RNA structures and can lead to a significant reduction of time complexity. Results: We analyze…

Combinatorics · Mathematics 2012-02-07 Fenix W. D. Huang , Christian M. Reidys

The paper investigates the computational problem of predicting RNA secondary structures. The general belief is that allowing pseudoknots makes the problem hard. Existing polynomial-time algorithms are heuristic algorithms with no…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Samuel Ieong , Ming-Yang Kao , Tak-Wah Lam , Wing-Kin Sung , Siu-Ming Yiu

Background: In the Nearest-Neighbor Thermodynamic Model, a standard approach for RNA secondary structure prediction, the energy of the multiloops is modeled using a linear entropic penalty governed by three branching parameters. Although…

Biomolecules · Quantitative Biology 2025-10-15 Svetlana Poznanović , Owen Cardwell , Christine Heitsch

In this paper, we develop new algorithms for the basic RNA folding problem. Given an RNA sequence that contains $n$ nucleotides, the goal of the problem is to compute a pseudoknot-free secondary structure that maximizes the number of base…

Data Structures and Algorithms · Computer Science 2015-03-23 Yinglei Song

We present TT2NE, a new algorithm to predict RNA secondary structures with pseudoknots. The method is based on a classification of RNA structures according to their topological genus. TT2NE guarantees to find the minimum free energy…

Biomolecules · Quantitative Biology 2010-10-22 Michael Bon , Henri Orland

We study the distribution of the minimum free energy (MFE) for the Turner model of pseudoknot free RNA secondary structures over ensembles of random RNA sequences. In particular, we are interested in those rare and intermediate events of…

Disordered Systems and Neural Networks · Physics 2010-07-01 S. Wolfsheimer , A. K. Hartmann

RNA structure prediction is a challenging problem, especially with pseudoknots. Recently, there has been a shift from the classical minimum free energy-based methods (MFE) to partition function-based ones that assemble structures using…

Biomolecules · Quantitative Biology 2020-01-10 Liang Zhang , He Zhang , David H. Mathews , Liang Huang

In this paper we study irreducibility in RNA structures. By RNA structure we mean RNA secondary as well as RNA pseudoknot structures. In our analysis we shall contrast random and minimum free energy (mfe) configurations. We compute various…

Biomolecules · Quantitative Biology 2009-02-24 Emma Y. Jin , Christian M. Reidys

Recently, a framework considering RNA sequences and their RNA secondary structures as pairs, led to some information-theoretic perspectives on how the semantics encoded in RNA sequences can be inferred. In this context, the pairing arises…

Biomolecules · Quantitative Biology 2017-11-30 Fenix W. Huang , Qijun He , Christopher Barrett , Christian M. Reidys

The minimum degree algorithm is one of the most widely-used heuristics for reducing the cost of solving large sparse systems of linear equations. It has been studied for nearly half a century and has a rich history of bridging techniques…

Data Structures and Algorithms · Computer Science 2023-04-11 Robert Cummings , Matthew Fahrbach , Animesh Fatehpuria

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

Biomolecules · Quantitative Biology 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi
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