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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

This work presents RNAdiffusion, a latent diffusion model for generating and optimizing discrete RNA sequences of variable lengths. RNA is a key intermediary between DNA and protein, exhibiting high sequence diversity and complex…

Machine Learning · Computer Science 2024-10-03 Kaixuan Huang , Yukang Yang , Kaidi Fu , Yanyi Chu , Le Cong , Mengdi Wang

This contribution focuses on the fascinating RNA molecule, its sequence-dependent folding driven by base-pairing interactions, the interplay between these interactions and natural evolution, and its multiple regulatory roles. The four of us…

Statistical Mechanics · Physics 2022-07-28 Simona Cocco , Andrea De Martino , Andrea Pagnani , Martin Weigt

The RNA inverse folding problem, a key challenge in RNA design, involves identifying nucleotide sequences that can fold into desired secondary structures, which are critical for ensuring molecular stability and function. The inherent…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Guang Yang , Lei Fan

RNA protein interactions control the fate of cellular RNAs and play an important role in gene regulation. An interdependency between such interactions allows for the implementation of logic functions in gene regulation. We investigate the…

Biomolecules · Quantitative Biology 2013-11-12 Yi-Hsuan Lin , Ralf Bundschuh

Matrices are two-dimensional data structures allowing one to conceptually organize information. For example, adjacency matrices are useful to store the links of a network; correlation matrices are simple ways to arrange gene co-expression…

Disordered Systems and Neural Networks · Physics 2022-09-29 Flaviano Morone

Given a random RNA secondary structure, $S$, we study RNA sequences having fixed ratios of nuclotides that are compatible with $S$. We perform this analysis for RNA secondary structures subject to various base pairing rules and minimum arc-…

Combinatorics · Mathematics 2016-03-14 Christopher L. Barrett , Thomas J. X. Li , Christian M. Reidys

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…

In an age of increasingly large data sets, investigators in many different disciplines have turned to clustering as a tool for data analysis and exploration. Existing clustering methods, however, typically depend on several nontrivial…

Quantitative Methods · Quantitative Biology 2009-11-11 Noam Slonim , Gurinder Singh Atwal , Gasper Tkacik , William Bialek

For a given permutation or set partition there is a natural way to assign a genus. Counting all permutations or partitions of a fixed genus according to cycle lengths or block sizes, respectively, is the main content of this article. After…

Combinatorics · Mathematics 2025-01-03 Alexander Hock

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

RNA folding prediction remains challenging, but can be also studied using a topological mathematical approach. In the present paper, the mathematical method to compute the topological classification of RNA structures and based on matrix…

Biomolecules · Quantitative Biology 2025-08-11 Nicolò Cangiotti , Stefano Grasso

We tackle the problem of protein secondary structure prediction using a common task framework. This lead to the introduction of multiple ideas for neural architectures based on state of the art building blocks, used in this task for the…

Pairwise ordered tree alignment are combinatorial objects that appear in RNA secondary structure comparison. However, the usual representation of tree alignments as supertrees is ambiguous, i.e. two distinct supertrees may induce identical…

Quantitative Methods · Quantitative Biology 2016-03-08 Cedric Chauve , Julien Courtiel , Yann Ponty

We describe a framework for encoding cluster combinatorics using categorical methods. We give a definition of an abstract cluster structure, which captures the essence of cluster mutation at a tropical level and show that cluster algebras,…

Rings and Algebras · Mathematics 2025-10-06 Jan E. Grabowski , Sira Gratz

Identifying the secondary structure of an RNA is crucial for understanding its diverse regulatory functions. This paper focuses on how to enhance target identification in a Boltzmann ensemble of structures via chemical probing data. We…

Biomolecules · Quantitative Biology 2019-09-13 Thomas J. X. Li , Christian M. Reidys

Solving the RNA inverse folding problem is a critical prerequisite to RNA design, an emerging field in bioengineering with a broad range of applications from reaction catalysis to cancer therapy. Although significant progress has been made…

Quantitative Methods · Quantitative Biology 2019-03-07 Jade Shi , Rhiju Das , Vijay S. Pande

The Automated Protein Structure Analysis (APSA) method is used for the classification of supersecondary structures. Basis for the classification is the encoding of three-dimensional (3D) residue conformations into a 16-letter code (3D-1D…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA…

Data Structures and Algorithms · Computer Science 2025-05-06 Tianshuo Zhou , Wei Yu Tang , Apoorv Malik , David H. Mathews , Liang Huang

Consider the network of all secondary structures of a given RNA sequence, where nodes are connected when the corresponding structures have base pair distance one. The expected degree of the network is the average number of neighbors, where…

Biomolecules · Quantitative Biology 2014-11-04 Peter Clote