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The prevalent method for RNA secondary structure prediction for a single sequence is free energy minimization based on the nearest neighbor thermodynamic model (NNTM). One of the least well-developed parts of the model is the energy…

Biomolecules · Quantitative Biology 2017-08-21 Fidel Barrera-Cruz , Christine Heitsch , Svetlana Poznanović

Prior results for tRNA and 5S rRNA demonstrated that secondary structure prediction accuracy can be significantly improved by modifying the parameters in the multibranch loop entropic penalty function. However, for reasons not well…

Biomolecules · Quantitative Biology 2025-03-28 Svetlana Poznanović , Owen Cardwell , Christine Heitsch

Questions in computational molecular biology generate various discrete optimization problems, such as DNA sequence alignment and RNA secondary structure prediction. However, the optimal solutions are fundamentally dependent on the…

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

In biology, predicting RNA secondary structures plays a vital role in determining its physical and chemical properties. Although we have powerful energy models to predict them as well as parametric analysis to understand the models…

Biomolecules · Quantitative Biology 2023-05-01 Doan Dai Nguyen

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

Computational RNA secondary structure prediction is rather well established. However, such prediction algorithms always depend on a large number of experimentally measured parameters. Here, we study how sensitive structure prediction…

Quantitative Methods · Quantitative Biology 2007-05-23 D. M. Layton , R. Bundschuh

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

Motivation: RNA design aims to find RNA sequences that fold into a given target secondary structure, a problem also known as RNA inverse folding. However, not all target structures are designable. Recent advances in RNA designability have…

Data Structures and Algorithms · Computer Science 2026-04-28 Tianshuo Zhou , David H. Mathews , Liang Huang

A major challenge in designing neural network (NN) systems is to determine the best structure and parameters for the network given the data for the machine learning problem at hand. Examples of parameters are the number of layers and nodes,…

Artificial Intelligence · Computer Science 2017-05-25 Gonzalo Diaz , Achille Fokoue , Giacomo Nannicini , Horst Samulowitz

We extend recent methods for parametric sequence alignment to the parameter space for scoring RNA folds. This involves the construction of an RNA polytope. A vertex of this polytope corresponds to RNA secondary structures with common…

Biomolecules · Quantitative Biology 2009-04-24 Valerie Hower , Christine E. Heitsch

Analysis of the sequence-structure relationship in RNA molecules are essential to evolutionary studies but also to concrete applications such as error-correction methodologies in sequencing technologies. The prohibitive sizes of the…

Quantitative Methods · Quantitative Biology 2013-05-31 Vladimir Reinharz , Yann Ponty , Jérôme Waldispühl

The structure of an RNA molecule plays a significant role in its biological function. Predicting structure given a one dimensional sequence of RNA nucleotide bases is a difficult and important problem. Many computer programs (known as in…

Biomolecules · Quantitative Biology 2021-06-15 Mark W. Lewis , Amit Verma , Rick Hennig

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

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

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

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

RNA design aims to identify RNA sequences that fold into a target secondary structure. This task is challenging in terms of computational efficiency. Most existing methods focus on either minimum free energy (MFE)-based or ensemble-based…

Biomolecules · Quantitative Biology 2026-03-04 Tianshuo Zhou , David H. Mathews , Liang Huang

RNA secondary structures prediction is one of the main issues in bioinformatics. It seeks to elucidate structural conserved regions within a set of RNA sequences. Unfortunately, finding an accurate conserved structure is a very hard task to…

Data Structures and Algorithms · Computer Science 2013-02-07 Abdesslem Layeb , Amira Boudra , Wissem Korichi , Salim Chikhi

The information-encoding molecules RNA and DNA form a combinatorially large set of secondary structures through nucleic acid base pairing. Thermodynamic prediction algorithms predict favoured, or minimum free energy (MFE), secondary…

Data Structures and Algorithms · Computer Science 2024-07-16 Ahmed Shalaby , Damien Woods
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