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As a consequence of the rugged landscape of RNA molecules their folding is described by the kinetic partitioning mechanism according to which only a small fraction ($\phi_F$) reaches the folded state while the remaining fraction of…

Biomolecules · Quantitative Biology 2017-01-24 Changbong Hyeon , D. Thirumalai

We present a sequence-based probabilistic formalism that directly addresses co-operative effects in networks of interacting positions in proteins, providing significantly improved contact prediction, as well as accurate quantitative…

Quantitative Methods · Quantitative Biology 2012-07-12 Alan Lapedes , Bertrand Giraud , Christopher Jarzynski

In this paper, we introduce the software suite, Hermes, which provides fast, novel algorithms for RNA secondary structure kinetics. Using the fast Fourier transform to efficiently compute the Boltzmann probability that a secondary structure…

Biomolecules · Quantitative Biology 2016-10-31 Evan Senter , Peter Clote

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

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

In genomics, pattern matching against a sequence of nucleotides plays a pivotal role for DNA sequence alignment and comparing genomes. This helps tackling some diseases, such as cancer in humans. The complexity of searching biological…

Quantitative Methods · Quantitative Biology 2017-10-04 Fereshte Mozafari , Hossein Babashah , Somayyeh Koohi , Zahra Kavehvash

We present a thermodynamically robust coarse-grained model to simulate folding of RNA in monovalent salt solutions. The model includes stacking, hydrogen bond and electrostatic interactions as fundamental components in describing the…

Biomolecules · Quantitative Biology 2013-04-16 Natalia A. Denesyuk , D. Thirumalai

The function of a protein is defined by its interaction partners. Thus, topology-driven network alignment of the protein-protein interaction (PPI) networks of two species should uncover similar interaction patterns and allow identification…

Molecular Networks · Quantitative Biology 2022-08-29 Siyue Wang , Xiaoyin Chen , Brent J. Frederisy , Benedict A. Mbakogu , Amy D. Kanne , Pasha Khosravi , Wayne B. Hayes

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

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

Secondary structure plays an important role in determining the function of non-coding RNAs. Hence, identifying RNA secondary structures is of great value to research. Computational prediction is a mainstream approach for predicting RNA…

Biomolecules · Quantitative Biology 2021-09-15 Qi Zhao , Zheng Zhao , Xiaoya Fan , Zhengwei Yuan , Qian Mao , Yudong Yao

In this work, we consider the Combinatorial RNA Design problem, a minimal instance of the RNA design problem which aims at finding a sequence that admits a given target as its unique base pair maximizing structure. We provide complete…

Quantitative Methods · Quantitative Biology 2015-06-22 Jozef Haleš , Ján Maňuch , Yann Ponty , Ladislav Stacho

In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly…

Machine Learning · Computer Science 2020-06-11 Xinshi Chen , Yu Li , Ramzan Umarov , Xin Gao , Le Song

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field,…

Biomolecules · Quantitative Biology 2024-06-21 Cheng Tan , Zhangyang Gao , Hanqun Cao , Xingran Chen , Ge Wang , Lirong Wu , Jun Xia , Jiangbin Zheng , Stan Z. Li

The PHASE software package allows phylogenetic tree construction with a number of evolutionary models designed specifically for use with RNA sequences that have conserved secondary structure. Evolution in the paired regions of RNAs occurs…

Populations and Evolution · Quantitative Biology 2007-05-23 Cendrine Hudelot , Vivek Gowri-Shankar , Howsun Jow , Magnus Rattray , Paul G. Higgs

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

Assembling a gene from candidate exons is an important problem in computational biology. Among the most successful approaches to this problem is \emph{spliced alignment}, proposed by Gelfand et al., which scores different candidate exon…

Data Structures and Algorithms · Computer Science 2007-07-24 Alexander Tiskin

Summary: We introduce RBPBind, a web-based tool for the quantitative prediction of RNA-protein interactions. Given a user-specified RNA and a protein selected from a set of several common RNA-binding proteins, RBPBind computes the binding…

Biomolecules · Quantitative Biology 2016-11-07 Jeff Gaither , Yi-Hsuan Lin , Ralf Bundschuh

Despite great interest in solving RNA secondary structures due to their impact on function, it remains an open problem to determine structure from sequence. Among experimental approaches, a promising candidate is the "chemical modification…

Quantitative Methods · Quantitative Biology 2011-06-30 Sharon Aviran , Julius B. Lucks , Lior Pachter

A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is…

Machine Learning · Computer Science 2023-03-14 Kaiyuan Yang , Houjing Huang , Olafs Vandans , Adithya Murali , Fujia Tian , Roland H. C. Yap , Liang Dai
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