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We extend recent methods for parametric sequence alignment to the parameter space for scoring RNA folds. This involves the construction of an RNA polytope. A vertex of this polytope corresponds to RNA secondary structures with common…

Biomolecules · Quantitative Biology 2009-04-24 Valerie Hower , Christine E. Heitsch

RNA molecules are single-stranded analogues of DNA that can fold into various structures which influence their biological function within the cell. RNA structures can be modelled combinatorially in terms of a certain type of graph called an…

Combinatorics · Mathematics 2022-04-14 Vincent Moulton , Taoyang Wu

Myriad viruses use positive-strand RNA molecules as their genomes. Far from being only a repository of genetic material, viral RNA performs numerous other functions mediated by its physical structure and chemical properties. In this…

Biological Physics · Physics 2024-09-27 Domen Vaupotič , Angelo Rosa , Rudolf Podgornik , Luca Tubiana , Anže Božič

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

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

We examine the conformations of a model for a short segment of closed DNA. The molecule is represented as a cylindrically symmetric elastic rod with a constraint corresponding to a specification of the linking number. We obtain analytic…

Soft Condensed Matter · Physics 2009-10-31 Boris Fain , Joseph Rudnick

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

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction,…

Biomolecules · Quantitative Biology 2022-11-28 Kevin E. Wu , Kevin K. Yang , Rianne van den Berg , James Y. Zou , Alex X. Lu , Ava P. Amini

We present a general setting for structure-sequence comparison in a large class of RNA structures that unifies and generalizes a number of recent works on specific families on structures. Our approach is based on tree decomposition of…

Quantitative Methods · Quantitative Biology 2012-06-21 Philippe Rinaudo , Yann Ponty , Dominique Barth , Alain Denise

We present a simple kinetic model for the assembly of small single-stranded RNA viruses that can be used to carry out analytical packaging contests between different types of RNA molecules. The RNA selection mechanism is purely kinetic and…

Biological Physics · Physics 2021-02-09 Inbal Mizrahi , Robijn Bruinsma , Joseph Rudnick

We introduce a method for predicting RNA folding pathways, with an application to the most important RNA tetraloops. The method is based on the idea that ensembles of three-dimensional fragments extracted from high-resolution crystal…

Biomolecules · Quantitative Biology 2016-11-21 Sandro Bottaro , Alejandro Gil-Ley , Giovanni Bussi

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

We introduce RNA-FrameFlow, the first generative model for 3D RNA backbone design. We build upon SE(3) flow matching for protein backbone generation and establish protocols for data preparation and evaluation to address unique challenges…

The topological filtration of interacting RNA complexes is studied and the role is analyzed of certain diagrams called irreducible shadows, which form suitable building blocks for more general structures. We prove that for two interacting…

Combinatorics · Mathematics 2011-12-30 Jørgen E. Andersen , Fenix W. D. Huang , Robert C. Penner , Christian M. Reidys

An endhered (end-adhered) pattern is a subset of arcs in matchings, such that the corresponding starting points are consecutive and the same holds for the ending points. Such patterns are in one-to-one correspondence with the permutations.…

Combinatorics · Mathematics 2025-03-20 Célia Biane , Greg Hampikian , Sergey Kirgizov , Khaydar Nurligareev

The presence of slipknots in configurations of proteins and DNA has been shown to affect their functionality, or alter it entirely. Historically, polymers are modeled as polygonal chains in space. As an alternative to space curves, we…

Geometric Topology · Mathematics 2018-03-21 Harrison Chapman

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

The statistical mechanics of heteropolymer structure formation is studied in the context of RNA secondary structures. A designed RNA sequence biased energetically towards a particular native structure (a hairpin) is used to study the…

Statistical Mechanics · Physics 2009-10-31 R. Bundschuh , T. Hwa

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

Elastic network models (ENMs) are valuable and efficient tools for characterizing the collective internal dynamics of proteins based on the knowledge of their native structures. The increasing evidence that the biological functionality of…

Biomolecules · Quantitative Biology 2015-09-01 Giovanni Pinamonti , Sandro Bottaro , Cristian Micheletti , Giovanni Bussi