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We propose a new deterministic methodology to predict RNA sequence and protein folding. Is stem enough for structure prediction? The main idea is to consider all possible stem formation in the given sequence. With the stem loop energy and…

Discrete Mathematics · Computer Science 2022-01-19 Mengyi Tang , Kumbit Hwang , Sung Ha Kang

Combinatorics of biopolymer structures, especially enumeration of various RNA secondary structures and protein contact maps, is of significant interest for communities of both combinatorics and computational biology. However, most of the…

Combinatorics · Mathematics 2023-01-20 Qianghui Guo , Yinglie Jin , Lisa H. Sun , Mingxing Weng

Enumerative studies of RNA secondary structures were initiated four decades ago by Waterman and his coworkers. Since then, RNA secondary structures have been explored according to many different structural characteristics, for instance,…

Combinatorics · Mathematics 2024-07-10 Ricky X. F. Chen , Christian M. Reidys , Michael S. Waterman

Given an RNA sequence a, consider the network G = (V;E), where the set V of nodes consists of all secondary structures of a, and whose edge set E consists of all edges connecting two secondary structures whose base pair distance is 1.…

Biomolecules · Quantitative Biology 2016-10-31 Peter Clote

RNA folding is a kinetic process governed by the competition of a large number of structures stabilized by the transient formation of base pairs that may induce complex folding pathways and the formation of misfolded structures. Despite of…

Biological Physics · Physics 2009-03-16 M. Manosas , I. Junier , F. Ritort

We consider the inverse-folding problem for RNA secondary structures: for a given (pseudo-knot-free) secondary structure find a sequence that has that structure as its ground state. If such a sequence exists, the structure is called…

Biological Physics · Physics 2015-06-26 Bernd Burghardt , Alexander K. Hartmann

We formulate the RNA folding problem as an $N\times N$ matrix field theory. This matrix formalism allows us to give a systematic classification of the terms in the partition function according to their topological character. The theory is…

Statistical Mechanics · Physics 2009-11-07 H. Orland , A. Zee

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

A hierarchical model for the growth of planar arch structures for RNA secondary structures is presented, and shown to be equivalent to a tree-growth model. Both models can be solved analytically, giving access to scaling functions for large…

Biomolecules · Quantitative Biology 2008-04-11 Francois David , Christian Hagendorf , Kay Joerg Wiese

The combinatorics of RNA plays a central role in biology. Mathematical biologists have several commonly-used models for RNA: words in a fixed alphabet (representing the primary sequence of nucleotides) and plane trees (representing the…

Combinatorics · Mathematics 2017-06-23 Frances Black , Elizabeth Drellich , Julianna Tymoczko

In this paper we consider the problem of RNA folding with pseudoknots. We use a graphical representation in which the secondary structures are described by planar diagrams. Pseudoknots are identified as non-planar diagrams. We analyze the…

Biomolecules · Quantitative Biology 2007-05-23 G. Vernizzi , H. Orland , A. Zee

The Kinfold and KFOLD programs for RNA folding kinetics implement the Gillespie algorithm to generate stochastic folding trajectories from an initial structure s to a target structure t, in which each intermediate secondary structure is…

Data Structures and Algorithms · Computer Science 2018-02-20 Amir H. Bayegan , Peter Clote

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

In this paper we present the asymptotic enumeration of RNA structures with pseudoknots. We develop a general framework for the computation of exponential growth rate and the sub exponential factors for $k$-noncrossing RNA structures. Our…

Biomolecules · Quantitative Biology 2009-09-29 Emma Y. Jin , Christian M. Reidys

We modify and extend the recently developed statistical mechanical model for predicting the thermodynamic properties of chain molecules having noncovalent double-stranded conformations, as in RNA or ssDNA, and $\beta-$sheets in protein, by…

Soft Condensed Matter · Physics 2009-11-07 Fei Liu , Luru Dai , Zhong-can Ou-Yang

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

We consider a certain abstract of RNA secondary structures, which is closely related to RNA shapes. The generating function counting the number of the abstract structures is obtained by means of Narayana numbers and 2-Motzkin paths, through…

Combinatorics · Mathematics 2019-07-18 Sang Kwan Choi

The paper investigates the computational problem of predicting RNA secondary structures. The general belief is that allowing pseudoknots makes the problem hard. Existing polynomial-time algorithms are heuristic algorithms with no…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Samuel Ieong , Ming-Yang Kao , Tak-Wah Lam , Wing-Kin Sung , Siu-Ming Yiu

RNA secondary structure prediction is widely used to understand RNA function. Recently, there has been a shift away from the classical minimum free energy (MFE) methods to partition function-based methods that account for folding ensembles…

Biomolecules · Quantitative Biology 2024-02-08 He Zhang , Liang Zhang , David H. Mathews , Liang Huang

Although both RNA and proteins have densely packed native structures, chain organizations of these two biopolymers are fundamentally different. Motivated by the recent discoveries in chromatin folding that interphase chromosomes have…

Soft Condensed Matter · Physics 2016-12-28 Lei Liu , Changbong Hyeon