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The ongoing effort to detect and characterize physical entanglement in biopolymers has so far established that knots are present in many globular proteins and also abound in viral DNA packaged inside bacteriophages. RNA molecules, on the…

Biomolecules · Quantitative Biology 2014-10-08 Cristian Micheletti , Marco Di Stefano , Henri Orland

In this paper we derive the generating function of RNA structures with pseudoknots. We enumerate all $k$-noncrossing RNA pseudoknot structures categorized by their maximal sets of mutually intersecting arcs. In addition we enumerate…

Combinatorics · Mathematics 2009-09-29 Emma Y. Jin , Jing Qin , Christian M. Reidys

In this paper we study irreducibility in RNA structures. By RNA structure we mean RNA secondary as well as RNA pseudoknot structures. In our analysis we shall contrast random and minimum free energy (mfe) configurations. We compute various…

Biomolecules · Quantitative Biology 2009-02-24 Emma Y. Jin , Christian M. Reidys

Background: RNA exhibits a variety of structural configurations. Here we consider a structure to be tantamount to the noncrossing Watson-Crick and \pairGU-base pairings (secondary structure) and additional cross-serial base pairs. These…

Combinatorics · Mathematics 2010-03-12 James Z. M. Gao , Linda Y. M. Li , Christian M. Reidys

In this paper we analyze the length-spectrum of blocks in $\gamma$-structures. $\gamma$-structures are a class of RNA pseudoknot structures that plays a key role in the context of polynomial time RNA folding. A $\gamma$-structure is…

Combinatorics · Mathematics 2018-06-13 Thomas J. X. Li , Christina S. Burris , Christian M. Reidys

The kinetic folding of RNA sequences into secondary structures is modeled as a complex adaptive system, the components of which are possible RNA structural rearrangements (SRs) and their associated bases and base pairs. RNA bases and base…

Biomolecules · Quantitative Biology 2007-05-23 Wilfred Ndifon

Motivation: DNA data is transcribed into single-stranded RNA, which folds into specific molecular structures. In this paper we pose the question to what extent sequence- and structure-information correlate. We view this correlation as…

Combinatorics · Mathematics 2016-08-23 Christopher Barrett , Fenix W. Huang , Christian M. Reidys

Computational prediction of RNA structures is an important problem in computational structural biology. Studies of RNA structure formation often assume that the process starts from a fully synthesized sequence. Experimental evidence,…

Biomolecules · Quantitative Biology 2021-04-28 Vo Hong Thanh , Dani Korpela , Pekka Orponen

This paper is continuation of the systematic study of distribution of quadrant marked mesh patterns. We study quadrant marked mesh patterns on up-down and down-up permutations, also known as alternating and reverse alternating permutations,…

Combinatorics · Mathematics 2012-05-04 Sergey Kitaev , Jeffrey Remmel

In this paper we study properties of topological RNA structures, i.e.~RNA contact structures with cross-serial interactions that are filtered by their topological genus. RNA secondary structures within this framework are topological…

Combinatorics · Mathematics 2016-06-23 Thomas J. X. Li , Christian M. Reidys

Interactions are ubiquitous across biological systems. These interactions can be abstracted as patterns of connections among distinct units such as genes, proteins, individual organisms, or species which form a hierarchy of biological…

Populations and Evolution · Quantitative Biology 2018-09-18 Pierre-Olivier Montiglio , Kiyoko M. Gotanda , Claudius F. Kratochwil , Kate L. Laskowski , Carey D. Nadell , Damien R. Farine

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

RNA secondary structure is an important computational model to understand how genetic variation maps into phenotypic (structural) variation. Evolutionary innovation in RNA structures is facilitated by neutral networks, large connected sets…

Populations and Evolution · Quantitative Biology 2008-01-22 Sumedha , Olivier C Martin , Andreas Wagner

For their resilience and toughness, filamentous entanglements are ubiquitous in both natural and engineered systems across length scales, from polymer-chain- to collagen-networks and from cable-net structures to forest canopies. Textiles…

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

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

Formation of base pairs between the nucleotides of an RNA sequence gives rise to a complex and often highly branched RNA structure. While numerous studies have demonstrated the functional importance of the high degree of RNA branching --…

Biological Physics · Physics 2023-06-21 Domen Vaupotič , Angelo Rosa , Luca Tubiana , Anže Božič

We study RNA foldings and investigate their topology using a combination of knot theory and embedded rigid vertex graphs. Knot theory has been helpful in modeling biomolecules, but classical knots place emphasis on a biomolecule's…

Geometric Topology · Mathematics 2022-07-28 Jose Ceniceros , Mohamed Elhamdadi , Josef Komissar , Hitakshi Lahrani

RNA motifs typically consist of short, modular patterns that include base pairs formed within and between modules. Estimating the abundance of these patterns is of fundamental importance for assessing the statistical significance of matches…

Probability · Mathematics 2007-05-23 Manuel Lladser , M. D. Betterton , Rob Knight

A growing number of RNA sequences are now known to have distributions of multiple stable sequences. Recent algorithms use the list of nucleotides in a sequence and auxiliary experimental data to predict such distributions. Although the…

Combinatorics · Mathematics 2020-09-14 Torin Greenwood , Christine E. Heitsch