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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

There exists many complicated $k$-noncrossing pseudoknot RNA structures in nature based on some special conditions. The special characteristic of RNA structures gives us great challenges in researching the enumeration, prediction and the…

Combinatorics · Mathematics 2020-11-23 Yangyang Zhao

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, experimental determination of RNA structures through X-ray…

Biomolecules · Quantitative Biology 2015-06-11 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

Generative neural networks can produce data samples according to the statistical properties of their training distribution. This feature can be used to test modern computational neuroscience hypotheses suggesting that spontaneous brain…

Neural and Evolutionary Computing · Computer Science 2025-07-29 Lorenzo Tausani , Alberto Testolin , Marco Zorzi

Dual graphs have been applied to model RNA secondary structures with pseudoknots, or intertwined base pairs. In previous works, a linear-time algorithm was introduced to partition dual graphs into maximally connected components called…

Biomolecules · Quantitative Biology 2021-09-09 Louis Petingi

Recently several minimum free energy (MFE) folding algorithms for predicting the joint structure of two interacting RNA molecules have been proposed. Their folding targets are interaction structures, that can be represented as diagrams with…

Combinatorics · Mathematics 2010-06-22 Thomas J. X. Li , Christian M. Reidys

The intricate network of interactions observed in RNA three-dimensional structures is often described in terms of a multitude of geometrical properties, including helical parameters, base pairing/stacking, hydrogen bonding and backbone…

Biomolecules · Quantitative Biology 2015-09-01 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

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

Questions in computational molecular biology generate various discrete optimization problems, such as DNA sequence alignment and RNA secondary structure prediction. However, the optimal solutions are fundamentally dependent on the…

DNA sequences are prone to creating secondary structures by folding back on themselves by non-specific hybridization among its nucleotides. The formation of secondary structures makes the sequences chemically inactive towards synthesis and…

Information Theory · Computer Science 2022-11-30 Siddhartha Siddhiprada Bhoi , Paramapalli Udaya , Abhay Kumar Singh

By using the matrix formulation of the two-step approach to distributions of patterns in random sequences, recurrence and explicit formulas for the generating functions of successions in random permutations of arbitrary multisets are…

Combinatorics · Mathematics 2024-05-06 Yong Kong

Net-trees are a general purpose data structure for metric data that have been used to solve a wide range of algorithmic problems. We give a simple randomized algorithm to construct net-trees on doubling metrics using $O(n\log n)$ time in…

Computational Geometry · Computer Science 2018-09-06 Mahmoodreza Jahanseir , Donald R. Sheehy

Upon a consistent topological statistical theory the application of structural statistics requires a quantification of the proximity structure of model spaces. An important tool to study these structures are Pseudo-Riemannian metrices,…

Statistics Theory · Mathematics 2020-06-23 Patrick Michl

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

An RNA secondary structure is designable if there is an RNA sequence which can attain its maximum number of base pairs only by adopting that structure. The combinatorial RNA design problem, introduced by Hale\v{s} et al. in 2016, is to…

Combinatorics · Mathematics 2020-05-12 Jonathan Jedwab , Tara Petrie , Samuel Simon

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…

We discuss the physics of RNA as described by its secondary structure. We examine the static properties of a homogeneous RNA-model that includes pairing and base stacking energies as well as entropic costs for internal loops. For large…

Statistical Mechanics · Physics 2009-11-07 M. Mueller

I present here some results on the statistical behaviour of large random matrices in an ensemble where the probability distribution is not a function of the eigenvalues only. The perturbative expansion can be cast in a closed form and the…

Disordered Systems and Neural Networks · Physics 2008-02-03 Giorgio Parisi

We enumerate possible topologies of pseudoknots in single-stranded RNA molecules. We use a steepest-descent approximation in the large N matrix field theory, and a Feynman diagram formalism to describe the resulting pseudoknot structure.

Biological Physics · Physics 2013-05-29 M. Pillsbury , H. Orland , A. Zee
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