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The contact map of a protein fold is a graph that represents the patterns of contacts in the fold. It is known that the contact map can be decomposed into stacks and queues. RNA secondary structures are special stacks in which the degree of…

Combinatorics · Mathematics 2014-06-05 William Y. C. Chen , Qiang-Hui Guo , Lisa H. Sun , Jian Wang

We describe a dynamic programming algorithm for predicting optimal RNA secondary structure, including pseudoknots. The algorithm has a worst case complexity of ${\cal O}(N^6)$ in time and ${\cal O}(N^4)$ in storage. The description of the…

Biological Physics · Physics 2009-09-25 Elena Rivas , Sean R. Eddy

We view the folding of RNA-sequences as a map that assigns a pattern of base pairings to each sequence, known as secondary structure. These preimages can be constructed as random graphs (i.e. the neutral networks associated to the structure…

adap-org · Physics 2008-02-03 Christian V. Forst , Christian Reidys , Jacqueline Weber

RNA pseudoknots are a kind of minimal RNA tertiary structural motifs, and their three-dimensional (3D) structures and stability play essential roles in a variety of biological functions. Therefore, to predict 3D structures and stability of…

Biological Physics · Physics 2019-05-21 Ya-Zhou Shi , Lei Jin , Chen-Jie Feng , Ya-Lan Tan , Zhi-Jie Tan

In this paper we study $k$-noncrossing matchings. A $k$-noncrossing matching is a labeled graph with vertex set $\{1,...,2n\}$ arranged in increasing order in a horizontal line and vertex-degree 1. The $n$ arcs are drawn in the upper…

Combinatorics · Mathematics 2008-03-07 Emma Y. Jin , Christian M. Reidys , Rita R. Wang

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

We study the problem of testing for structure in networks using relations between the observed frequencies of small subgraphs. We consider the statistics \begin{align*} T_3 & =(\text{edge frequency})^3 - \text{triangle frequency}\\ T_2 &…

Methodology · Statistics 2017-04-25 Chao Gao , John Lafferty

Let Sn denote the network of all RNA secondary structures of length n, in which undirected edges exist between structures s, t such that t is obtained from s by the addition, removal or shift of a single base pair. Using context-free…

Biomolecules · Quantitative Biology 2018-07-12 Defne Surujon , Yann Ponty , Peter Clote

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

Non-coding RNA (ncRNA) are RNA sequences which don't code for a gene but instead carry important biological functions. The task of ncRNA classification consists in classifying a given ncRNA sequence into its family. While it has been shown…

Genomics · Quantitative Biology 2019-05-17 Emanuele Rossi , Federico Monti , Michael Bronstein , Pietro Liò

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

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

We give recurrence relations for the enumeration of symmetric elements within four classes of arc diagrams corresponding to certain involutions and set partitions whose blocks contain no consecutive integers. These arc diagrams are…

Combinatorics · Mathematics 2023-04-19 Juan B. Gil , Luis E. Lopez

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 consider the folding of a self-avoiding homopolymer on a lattice, with saturating hydrogen bond interactions. Our goal is to numerically evaluate the statistical distribution of the topological genus of pseudoknotted configurations. The…

Biomolecules · Quantitative Biology 2009-11-11 G. Vernizzi , P. Ribeca , H. Orland , A. Zee

Combinatorial analysis of a certain abstract of RNA structures has been studied to investigate their statistics. Our approach regards the backbone of secondary structures as an alternate sequence of paired and unpaired sets of nucleotides,…

Quantitative Methods · Quantitative Biology 2020-03-10 Sang Kwan Choi , Chaiho Rim , Hwajin Um

We investigate which chordal graphs have a representation as intersection graphs of pseudosegments. For positive we have a construction which shows that all chordal graphs that can be represented as intersection graph of subpaths on a tree…

Combinatorics · Mathematics 2008-09-12 Cornelia Dangelmayr , Stefan Felsner , William T. Trotter

Motivation: Non-coding RNAs (ncRNAs) express their functions by adopting molecular structures. Specifically, RNA secondary structures serve as a relatively stable intermediate step before tertiary structures, offering a reliable signature…

Data Structures and Algorithms · Computer Science 2024-02-07 Bertrand Marchand , Yoann Anselmetti , Manuel Lafond , Aïda Ouangraoua

We study the secondary structure of RNA determined by Watson-Crick pairing without pseudo-knots using Milnor invariants of links. We focus on the first non-trivial invariant, which we call the Heisenberg invariant. The Heisenberg invariant,…

Biomolecules · Quantitative Biology 2008-09-19 Siddhartha Gadgil

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

Biomolecules · Quantitative Biology 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette