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Determination of sizes and flexibilities of RNA molecules is important in understanding the nature of packing in folded structures and in elucidating interactions between RNA and DNA or proteins. Using the coordinates of the structures of…

Biomolecules · Quantitative Biology 2009-11-13 Changbong Hyeon , Ruxandra I. Dima , D. Thirumalai

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

It is a classical result of Stein and Waterman that the asymptotic number of RNA secondary structures is $1.104366 \cdot n^{-3/2} \cdot 2.618034^n$. Motivated by the kinetics of RNA secondary structure formation, we are interested in…

Combinatorics · Mathematics 2013-01-01 Éric Fusy , Peter Clote

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

Recently, a framework considering RNA sequences and their RNA secondary structures as pairs, led to some information-theoretic perspectives on how the semantics encoded in RNA sequences can be inferred. In this context, the pairing arises…

Biomolecules · Quantitative Biology 2017-11-30 Fenix W. Huang , Qijun He , Christopher Barrett , Christian M. Reidys

A network is scale-free if its connectivity density function is proportional to a power-law distribution. Scale-free networks may provide an explanation for the robustness observed in certain physical and biological phenomena, since the…

Molecular Networks · Quantitative Biology 2018-07-03 Peter Clote

In this work, we investigate a challenging problem, which has been considered to be an important criterion in designing codewords for DNA computing purposes, namely secondary structure avoidance in single-stranded DNA molecules. In short,…

Information Theory · Computer Science 2023-02-28 Tuan Thanh Nguyen , Kui Cai , Han Mao Kiah , Duc Tu Dao , Kees A. Schouhamer Immink

In this paper we study the distribution of stacks in $k$-noncrossing, $\tau$-canonical RNA pseudoknot structures ($<k,\tau> $-structures). An RNA structure is called $k$-noncrossing if it has no more than $k-1$ mutually crossing arcs and…

Combinatorics · Mathematics 2008-07-08 Hillary S. W. Han , Christian M. Reidys

In this paper we compute the loop homology of bi-secondary structures. Bi-secondary structures were introduced by Haslinger and Stadler and are pairs of RNA secondary structures, i.e. diagrams having non-crossing arcs in the upper…

General Topology · Mathematics 2019-04-04 Andrei C. Bura , Qijun He , Christian M. Reidys

Secondary structure formation of nucleic acids strongly depends on salt concentration and temperature. We develop a theory for RNA folding that correctly accounts for sequence effects, the entropic contributions associated with loop…

Biological Physics · Physics 2015-05-27 Thomas R. Einert , Roland R. Netz

Ab initio RNA secondary structure predictions have long dismissed helices interior to loops, so-called pseudoknots, despite their structural importance. Here, we report that many pseudoknots can be predicted through long time scales RNA…

Biological Physics · Physics 2009-11-10 A. Xayaphoummine , T. Bucher , F. Thalmann , H. Isambert

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

Motivation: Predicting the secondary structure of an RNA sequence is useful in many applications. Existing algorithms (based on dynamic programming) suffer from a major limitation: their runtimes scale cubically with the RNA length, and…

Biomolecules · Quantitative Biology 2020-01-14 Liang Huang , He Zhang , Dezhong Deng , Kai Zhao , Kaibo Liu , David A. Hendrix , David H. Mathews

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.…

In this paper we present a novel framework for sequence to shape maps. These combinatorial maps realize exponentially many shapes, and have preimages which contain extended connected subgraphs of diameter n (neutral networks). We prove that…

Quantitative Methods · Quantitative Biology 2009-09-29 Emma Y. Jin , Jing Qin , Christian M. Reidys

It is the first step for understanding how RNA structure folds from base sequences that to know how its secondary structure is formed. Traditional energy-based algorithms are short of precision, particularly for non-nested sequences, while…

Quantum Physics · Physics 2023-05-18 Ji Jiang , Qipeng Yan , Ye Li , Min Lu , Ziwei Cui , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

We study plane trees as a model for RNA secondary structure, assigning energy to each tree based on the Nearest Neighbor Thermodynamic Model, and defining a corresponding Gibbs distribution on the trees. Through a bijection between plane…

Combinatorics · Mathematics 2020-04-03 Anna Kirkpatrick , Kalen Patton

We introduce a novel fully convolutional neural network (FCN) architecture for predicting the secondary structure of ribonucleic acid (RNA) molecules. Interpreting RNA structures as weighted graphs, we employ deep learning to estimate the…

Biomolecules · Quantitative Biology 2024-06-07 Marc Harary , Chengxin Zhang

We study the statistical mechanics of RNA secondary structures designed to have an attraction between two different types of structures as a model system for heteropolymer aggregation. The competition between the branching entropy of the…

Biological Physics · Physics 2009-11-11 Vishwesha Guttal , Ralf Bundschuh

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