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Shape graphs are complex geometrical structures commonly found in biological and anatomical systems. A shape graph is a collection of nodes, some connected by curvilinear edges with arbitrary shapes. Their high complexity stems from the…

Computation · Statistics 2024-09-17 Benjamin Beaudett , Anuj Srivastava

In biology, predicting RNA secondary structures plays a vital role in determining its physical and chemical properties. Although we have powerful energy models to predict them as well as parametric analysis to understand the models…

Biomolecules · Quantitative Biology 2023-05-01 Doan Dai Nguyen

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

Let $\Delta$ denote a non-degenerate $k$-simplex in $\mathbb{R}^k$. The set $\text{Sim}(\Delta)$ of simplices in $\mathbb{R}^k$ similar to $\Delta$ is diffeomorphic to $O(k)\times [0,\infty)\times \mathbb{R}^k$, where the factor in $O(k)$…

Geometric Topology · Mathematics 2022-06-08 Jason Cantarella , Elizabeth Denne , John McCleary

Within biology, it is of interest to construct DNA complexes of a certain shape. These complexes can be represented through graph theory, using edges to model strands of DNA joined at junctions, represented by vertices. Because guided…

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

Carbon nanotubes and biological filaments each spontaneously assemble into kinked helices, rings, and "tennis racket" shapes due to competition between elastic and interfacial effects. We show that the slender geometry is a more important…

Soft Condensed Matter · Physics 2009-11-10 Adam E. Cohen , L. Mahadevan

Motivation coming from the study of affine Weyl groups, a structure of ranked poset is defined on the set of circular permutations in $S_n$ (that is, $n$-cycles). It is isomorphic to the poset of so-called admitted vectors, and to an…

Combinatorics · Mathematics 2020-10-14 Antoine Abram , Nathan Chapelier-Laget , Christophe Reutenauer

Using force as a probe to map the folding landscapes of RNA molecules has become a reality thanks to major advances in single molecule pulling experiments. Although the unfolding pathways under tension are complicated to predict studies in…

Biological Physics · Physics 2018-03-14 Changbong Hyeon , D. Thirumalai

The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

While stretching of most polymer chains leads to rather featureless force-extension diagrams, some, notably DNA, exhibit non-trivial behavior with a distinct plateau region. Here we propose a unified theory that connects force-extension…

Mesoscale and Nanoscale Physics · Physics 2013-02-26 Alexander V. Savin , Mikhail A. Mazo , Irina P. Kikot , Alexey V. Onufriev

Branching architecture characterizes numerous systems, ranging from synthetic (hyper)branched polymers and biomolecules such as lignin, amylopectin, and nucleic acids to tracheal and neuronal networks. Its ubiquity reflects the many…

Soft Condensed Matter · Physics 2025-06-18 Domen Vaupotič , Jules Morand , Luca Tubiana , Anže Božič

Biological functions of RNAs are determined by their three-dimensional (3D) structures. Thus, given the limited number of experimentally determined RNA structures, the prediction of RNA structures will facilitate elucidating RNA functions…

Machine Learning · Computer Science 2023-07-25 Shuo Zhang , Yang Liu , Lei Xie

RNA polymerase (RNAP) is molecular machine that polymerizes a RNA molecule, a linear heteropolymer, using a single stranded DNA (ssDNA) as the corresponding template; the sequence of monomers of the RNA is dictated by that of monomers on…

Biological Physics · Physics 2015-02-27 Tripti Bameta , Debashish Chowdhury , Dipanwita Ghanti , Soumendu Ghosh

Non-coding RNA are functional molecules that are not translated into proteins. Their function comes as important regulators of biological function. Because they are not translated, they need not be as stable as other types of RNA. The TKF91…

Other Quantitative Biology · Quantitative Biology 2024-05-27 Brandon Legried

We consider the topology of real no $k$-equal spaces via the theory of cellular spanning trees. Our main theorem proves that the rank of the $(k-2)$-dimensional homology of the no $k$-equal subspace of $\mathbb{R}$ is equal to the number of…

Combinatorics · Mathematics 2017-08-02 Yuliy Baryshnikov , Caroline Klivans , Nicholas Kosar

As a consequence of the rugged landscape of RNA molecules their folding is described by the kinetic partitioning mechanism according to which only a small fraction ($\phi_F$) reaches the folded state while the remaining fraction of…

Biomolecules · Quantitative Biology 2017-01-24 Changbong Hyeon , D. Thirumalai

Genes communicate with each other through different regulatory effects, which lead to the emergence of complex structures in cells, and such structures are expected to be different for normal and cancerous cells. To study breast cancer…

Molecular Networks · Quantitative Biology 2020-10-13 Abbas Karimi Rizi , Mina Zamani , Amirhossein Shirazi , G. Reza Jafari , János Kertész

We study theoretically the denaturation of single RNA molecules by mechanical stretching, focusing on signatures of the (un)folding pathway in molecular fluctuations. Our model describes the interactions between nucleotides by incorporating…

Soft Condensed Matter · Physics 2009-11-07 Ulrich Gerland , Ralf Bundschuh , Terence Hwa

Nonequilibrium experiments of single biomolecules such as force-induced unfolding reveal details about a few degrees of freedom of a complex system. Molecular dynamics simulations can provide complementary information, but exploration of…

Statistical Mechanics · Physics 2011-04-28 Alex Dickson , Mark Maienschein-Cline , Allison Tovo-Dwyer , Jeff R. Hammond , Aaron R. Dinner