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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,…

生物大分子 · 定量生物学 2021-04-28 Vo Hong Thanh , Dani Korpela , Pekka Orponen

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field,…

生物大分子 · 定量生物学 2024-06-21 Cheng Tan , Zhangyang Gao , Hanqun Cao , Xingran Chen , Ge Wang , Lirong Wu , Jun Xia , Jiangbin Zheng , Stan Z. Li

Accurate prediction of RNA three-dimensional (3D) structure remains an unsolved challenge. Determining RNA 3D structures is crucial for understanding their functions and informing RNA-targeting drug development and synthetic biology design.…

Many ncRNAs function through RNA-RNA interactions. Fast and reliable RNA structure prediction with consideration of RNA-RNA interaction is useful. Some existing tools are less accurate due to omitting the competing of intermolecular and…

生物大分子 · 定量生物学 2022-10-28 He Zhang , Sizhen Li , Liang Zhang , David H. Mathews , Liang Huang

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

生物大分子 · 定量生物学 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

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…

生物大分子 · 定量生物学 2015-06-11 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

We describe a dynamic programming algorithm for predicting optimal RNA secondary structure, including pseudoknots. The algorithm has a worst case complexity of ${\cal O}(N^6)$ in time and ${\cal O}(N^4)$ in storage. The description of the…

生物物理 · 物理学 2009-09-25 Elena Rivas , Sean R. Eddy

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.…

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…

生物大分子 · 定量生物学 2024-02-08 He Zhang , Liang Zhang , David H. Mathews , Liang Huang

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…

生物物理 · 物理学 2009-11-10 A. Xayaphoummine , T. Bucher , F. Thalmann , H. Isambert

In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly…

机器学习 · 计算机科学 2020-06-11 Xinshi Chen , Yu Li , Ramzan Umarov , Xin Gao , Le Song

Secondary structure plays an important role in determining the function of non-coding RNAs. Hence, identifying RNA secondary structures is of great value to research. Computational prediction is a mainstream approach for predicting RNA…

生物大分子 · 定量生物学 2021-09-15 Qi Zhao , Zheng Zhao , Xiaoya Fan , Zhengwei Yuan , Qian Mao , Yudong Yao

The accurate prediction of protein-RNA binding affinity remains an unsolved problem in structural biology, limiting opportunities in understanding gene regulation and designing RNA-targeting therapeutics. A central obstacle is the…

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…

离散数学 · 计算机科学 2022-01-19 Mengyi Tang , Kumbit Hwang , Sung Ha Kang

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…

统计力学 · 物理学 2009-10-31 R. Bundschuh , T. Hwa

RNA is a fundamental class of biomolecules that mediate a large variety of molecular processes within the cell. Computational algorithms can be of great help in the understanding of RNA structure-function relationship. One of the main…

生物大分子 · 定量生物学 2015-02-20 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

生物大分子 · 定量生物学 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

生物大分子 · 定量生物学 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

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…

生物大分子 · 定量生物学 2020-01-14 Liang Huang , He Zhang , Dezhong Deng , Kai Zhao , Kaibo Liu , David A. Hendrix , David H. Mathews

The kinetic folding of RNA sequences into secondary structures is modeled as a complex adaptive system, the components of which are possible RNA structural rearrangements (SRs) and their associated bases and base pairs. RNA bases and base…

生物大分子 · 定量生物学 2007-05-23 Wilfred Ndifon
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