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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…

组合数学 · 数学 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…

生物物理 · 物理学 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 · 物理学 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…

生物物理 · 物理学 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…

组合数学 · 数学 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…

组合数学 · 数学 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 &…

统计方法学 · 统计学 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…

生物大分子 · 定量生物学 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…

生物大分子 · 定量生物学 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…

基因组学 · 定量生物学 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…

机器学习 · 计算机科学 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…

基因组学 · 定量生物学 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…

组合数学 · 数学 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…

生物大分子 · 定量生物学 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…

生物大分子 · 定量生物学 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,…

定量方法 · 定量生物学 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…

组合数学 · 数学 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…

数据结构与算法 · 计算机科学 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,…

生物大分子 · 定量生物学 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…

生物大分子 · 定量生物学 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette