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Given the importance of non-coding RNAs to cellular regulatory functions and rapid growth of RNA transcripts, computational prediction of RNA tertiary structure remains highly demanded yet significantly challenging. Even for a short RNA…

Biomolecules · Quantitative Biology 2014-07-29 Liang Ding , Xingran Xue , Sal LaMarca , Mohammad Mohebbi , Abdul Samad , Russell L. Malmberg , Liming Cai

We consider the inverse-folding problem for RNA secondary structures: for a given (pseudo-knot-free) secondary structure find a sequence that has that structure as its ground state. If such a sequence exists, the structure is called…

Biological Physics · Physics 2015-06-26 Bernd Burghardt , Alexander K. Hartmann

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

Predicting whether a chemical structure shares a desired biological effect can have a significant impact for in-silico compound screening in early drug discovery. In this study, we developed a deep learning model where compound structures…

Quantitative Methods · Quantitative Biology 2020-04-03 C. Fotis , N. Meimetis , A. Sardis , L. G. Alexopoulos

RNA sequencing (RNA-seq) is the conventional genome-scale approach used to capture the expression levels of all detectable genes in a biological sample. This is now regularly used for population-based studies designed to identify genetic…

Genomics · Quantitative Biology 2026-05-25 Christopher Thron , Farhad Jafari

The formation of secondary structures by a random RNA sequence is studied as a model system for the sequence-structure problem omnipresent in biopolymers. Several toy energy models are introduced to allow detailed analytical and numerical…

Statistical Mechanics · Physics 2009-11-07 R. Bundschuh , T. Hwa

The in silico design of peptides and proteins as binders is useful for diagnosis and therapeutics due to their low adverse effects and major specificity. To select the most promising candidates, a key matter is to understand their…

Biomolecules · Quantitative Biology 2021-02-03 Rodrigo Ochoa , Miguel A. Soler , Alessandro Laio , Pilar Cossio

Functional or non-coding RNAs are attracting more attention as they are now potentially considered valuable resources in the development of new drugs intended to cure several human diseases. The identification of drugs targeting the…

Genomics · Quantitative Biology 2019-12-25 Muhammad Nabeel Asima , Muhammad Imran Malik , Andreas Dengela , Sheraz Ahmed

For decades, dimethyl sulfate (DMS) mapping has informed manual modeling of RNA structure in vitro and in vivo. Here, we incorporate DMS data into automated secondary structure inference using a pseudo-energy framework developed for 2'-OH…

Biomolecules · Quantitative Biology 2012-07-06 Pablo Cordero , Wipapat Kladwang , Christopher C. VanLang , Rhiju Das

Arc-annotated sequences are useful for representing structural information of RNAs and have been extensively used for comparing RNA structures in both terms of sequence and structural similarities. Among the many paradigms referring to…

Data Structures and Algorithms · Computer Science 2008-12-23 Guillaume Blin , Sylvie Hamel , Stéphane Vialette

We present a novel topological classification of RNA secondary structures with pseudoknots. It is based on the topological genus of the circular diagram associated to the RNA base-pair structure. The genus is a positive integer number,…

Biomolecules · Quantitative Biology 2007-05-23 Michael Bon , Graziano Vernizzi , Henri Orland , A. Zee

High-throughput sequencing of RNA transcripts (RNA-seq) has become the method of choice for detection of differential expression (DE). Concurrent with the growing popularity of this technology there has been a significant research effort…

RNA is a fundamental class of biomolecules that mediate a large variety of molecular processes within the cell. Computational algorithms can be of great help in the understanding of RNA structure-function relationship. One of the main…

Biomolecules · Quantitative Biology 2015-02-20 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

Isoform quantification is an important goal of RNA-seq experiments, yet it remains prob- lematic for genes with low expression or several isoforms. These difficulties may in principle be ameliorated by exploiting correlated experimental…

Genomics · Quantitative Biology 2016-02-23 Yuanhua Huang , Guido Sanguinetti

A growing number of RNA sequences are now known to have distributions of multiple stable sequences. Recent algorithms use the list of nucleotides in a sequence and auxiliary experimental data to predict such distributions. Although the…

Combinatorics · Mathematics 2020-09-14 Torin Greenwood , Christine E. Heitsch

Metrics for indirectly predicting the folding rates of RNA sequences are of interest. In this letter, we introduce a simple metric of RNA structural complexity, which accounts for differences in the energetic contributions of RNA base…

Biomolecules · Quantitative Biology 2009-08-17 Asamoah Nkwanta , Wilfred Ndifon

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

Despite the biological importance of non-coding RNA, their structural characterization remains challenging. Making use of the rapidly growing sequence databases, we analyze nucleotide coevolution across homologous sequences via…

Biomolecules · Quantitative Biology 2015-10-13 Eleonora De Leonardis , Benjamin Lutz , Sebastian Ratz , Simona Cocco , Remi Monasson , Alexander Schug , Martin Weigt

RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…

Biomolecules · Quantitative Biology 2019-03-04 William D. Baez , Kay Jörg Wiese , Ralf Bundschuh

A new statistical method of alignment of two heteropolymers which can form hierarchical cloverleaf-like secondary structures is proposed. This offers a new constructive algorithm for quantitative determination of binding free energy of two…

Quantitative Methods · Quantitative Biology 2010-11-12 S. K. Nechaev , M. V. Tamm , O. V. Valba
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