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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 accurate prediction of protein-RNA binding affinity remains an unsolved problem in structural biology, limiting opportunities in understanding gene regulation and designing RNA-targeting therapeutics. A central obstacle is the…

Many ncRNAs function through RNA-RNA interactions. Fast and reliable RNA structure prediction with consideration of RNA-RNA interaction is useful. Some existing tools are less accurate due to omitting the competing of intermolecular and…

Biomolecules · Quantitative Biology 2022-10-28 He Zhang , Sizhen Li , Liang Zhang , David H. Mathews , Liang Huang

Deep neural networks such as AlphaFold and RoseTTAFold predict remarkably accurate structures of proteins compared to other algorithmic approaches. It is known that biologically small perturbations in the protein sequence do not lead to…

Biomolecules · Quantitative Biology 2021-09-21 Sumit Kumar Jha , Arvind Ramanathan , Rickard Ewetz , Alvaro Velasquez , Susmit Jha

We introduce a novel fully convolutional neural network (FCN) architecture for predicting the secondary structure of ribonucleic acid (RNA) molecules. Interpreting RNA structures as weighted graphs, we employ deep learning to estimate the…

Biomolecules · Quantitative Biology 2024-06-07 Marc Harary , Chengxin Zhang

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

Structural prediction has long been considered critical in RNA research, especially following the success of AlphaFold2 in protein studies, which has drawn significant attention to the field. While recent advances in machine learning and…

Biomolecules · Quantitative Biology 2024-09-26 Jiaxing Yang

RNAs self-interact through hydrogen-bond base-pairing between nucleotides and fold into specific, stable structures that substantially govern their biochemical behaviour. Experimental characterization of these structures remains difficult,…

Quantum Physics · Physics 2023-05-02 Tristan Zaborniak , Juan Giraldo , Hausi Müller , Hosna Jabbari , Ulrike Stege

In this paper, we use the biological domain knowledge incorporated into stochastic models for ab initio RNA secondary-structure prediction to improve the state of the art in joint compression of RNA sequence and structure data (Liu et al.,…

Biomolecules · Quantitative Biology 2023-02-24 Evarista Onokpasa , Sebastian Wild , Prudence W. H. Wong

An RNA molecule is structured on several layers. The primary and most obvious structure is its sequence of bases, i.e. a word over the alphabet {A,C,G,U}. The higher structure is a set of one-to-one base-pairings resulting in a…

Data Structures and Algorithms · Computer Science 2007-05-23 Michael Brinkmeier

Rising costs in recent years of developing new drugs and treatments have led to extensive research in optimization techniques in biomolecular design. Currently, the most widely used approach in biomolecular design is directed evolution,…

Machine Learning · Computer Science 2021-11-09 Alexander Whatley , Zhekun Luo , Xiangru Tang

The field of RNA secondary structure prediction has made significant progress with the adoption of deep learning techniques. In this work, we present the RNAformer, a lean deep learning model using axial attention and recycling in the…

Machine Learning · Computer Science 2023-07-20 Jörg K. H. Franke , Frederic Runge , Frank Hutter

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 tertiary structures of functional RNA molecules remain difficult to decipher. A new generation of automated RNA structure prediction methods may help address these challenges but have not yet been experimentally validated. Here we apply…

Biomolecules · Quantitative Biology 2011-10-05 Wipapat Kladwang , Fang-Chieh Chou , Rhiju Das

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

We describe an algorithm for comparing two RNA secondary structures coded in the form of trees that introduces two new operations, called node fusion and edge fusion, besides the tree edit operations of deletion, insertion, and relabeling…

Data Structures and Algorithms · Computer Science 2008-10-23 Julien Allali , Marie-France Sagot

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…

Biological Physics · Physics 2020-09-04 Bin Huang , Yuanyang Du , Shuai Zhang , Wenfei Li , Jun Wang , Jian Zhang

Accurate RNA secondary structure prediction is vital for understanding cellular regulation and disease mechanisms. Deep learning (DL) methods have surpassed traditional algorithms by predicting complex features like pseudoknots and…

Biomolecules · Quantitative Biology 2024-01-12 Frederic Runge , Jörg K. H. Franke , Daniel Fertmann , Frank Hutter

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains…

Biomolecules · Quantitative Biology 2024-03-08 Cheng Tan , Yijie Zhang , Zhangyang Gao , Bozhen Hu , Siyuan Li , Zicheng Liu , Stan Z. Li