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The intricate network of interactions observed in RNA three-dimensional structures is often described in terms of a multitude of geometrical properties, including helical parameters, base pairing/stacking, hydrogen bonding and backbone…

Biomolecules · Quantitative Biology 2015-09-01 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure models advance. Despite this momentum, the lack of standardized,…

Biomolecules · Quantitative Biology 2025-10-23 Luis Wyss , Vincent Mallet , Wissam Karroucha , Karsten Borgwardt , Carlos Oliver

No existing algorithm can start with arbitrary RNA sequences and return the precise, three-dimensional structures that ensures their biological function. This chapter outlines current algorithms for automated RNA structure prediction…

Biomolecules · Quantitative Biology 2011-03-17 Kyle Beauchamp , Parin Sripakdeevong , Rhiju Das

The nucleotide sequence representation of DNA can be inadequate for resolving protein-DNA binding sites and regulatory substrates, such as those involved in gene expression and horizontal gene transfer. Considering that sequence-like…

Genomics · Quantitative Biology 2020-07-30 Jan Zrimec

It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution. Hence, prediction of conserved secondary structures from…

Biomolecules · Quantitative Biology 2013-07-09 Michiaki Hamada

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

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Integrative biomolecular modeling of RNA relies on structural refined collections and accurate experimental data that reflect binding and folding behavior. However, the prediction of such collections remains challenging due to the rugged…

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

Biomolecules · Quantitative Biology 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi

Computational prediction of stable crystal structures has a profound impact on the large-scale discovery of novel functional materials. However, predicting the crystal structure solely from a material's composition or formula is a promising…

Materials Science · Physics 2024-04-09 Yuqi Song , Rongzhi Dong , Lai Wei , Qin Li , Jianjun Hu

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

The problem of determining which nucleotides of an RNA sequence are paired or unpaired in the secondary structure of an RNA, which we call RNA state inference, can be studied by different machine learning techniques. Successful state…

Biomolecules · Quantitative Biology 2024-07-09 Devin Willmott , David Murrugarra , Qiang Ye

Large RNA molecules often carry multiple functional domains whose spatial arrangement is an important determinant of their function. Pre-mRNA splicing, furthermore, relies on the spatial proximity of the splice junctions that can be…

Quantitative Methods · Quantitative Biology 2013-07-31 Rolf Backofen , Markus Fricke , Manja Marz , Jing Qin , Peter F. Stadler

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

In a recent paper Siegfried et al. published a new sequence-based structural RNA assay that utilizes mutational profiling to detect base pairing (MaP). Output from MaP provides information about both pairing (via reactivities) and contact…

Quantitative Methods · Quantitative Biology 2014-12-12 Akshay Tambe , Jennifer Doudna , Lior Pachter

Non-coding RNAs are ubiquitous, but the discovery of new RNA gene sequences far outpaces research on their structure and functional interactions. We mine the evolutionary sequence record to derive precise information about function and…

Biomolecules · Quantitative Biology 2016-04-22 Caleb Weinreb , Adam J. Riesselman , John B. Ingraham , Torsten Gross , Chris Sander , Debora S. Marks

The evolutionary trajectory of a protein through sequence space is constrained by function and three-dimensional (3D) structure. Residues in spatial proximity tend to co-evolve, yet attempts to invert the evolutionary record to identify…

Biomolecules · Quantitative Biology 2015-03-13 Debora S. Marks , Lucy J. Colwell , Robert Sheridan , Thomas A. Hopf , Andrea Pagnani , Riccardo Zecchina , Chris Sander

Large Artificial Neural Network (ANN) models have demonstrated success in various domains, including general text and image generation, drug discovery, and protein-RNA (ribonucleic acid) binding tasks. However, these models typically demand…

Biomolecules · Quantitative Biology 2025-11-13 Stanislav Selitskiy

Long non-coding RNA, microRNA, and messenger RNA enable key regulations of various biological processes through a variety of diverse interaction mechanisms. Identifying the interactions and cross-talk between these heterogeneous RNA classes…

Molecular Networks · Quantitative Biology 2020-12-10 Nhat Tran , Jean Gao

Due to the hierarchical organization of RNA structures and their pivotal roles in fulfilling RNA functions, the formation of RNA secondary structure critically influences many biological processes and has thus been a crucial research topic.…