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Several algorithms for RNA inverse folding have been used to design synthetic riboswitches, ribozymes and thermoswitches, whose activity has been experimentally validated. The RNAiFold software is unique among approaches for inverse folding…

Biomolecules · Quantitative Biology 2015-05-29 Juan Antonio Garcia-Martin , Ivan Dotu , Peter Clote

In this paper, we consider the problem of designing DNA sequences (codewords) for DNA storage systems and DNA computing that are unlikely to fold back onto themselves to form undesirable secondary structures. The paper addresses both the…

Discrete Mathematics · Computer Science 2016-11-17 Olgica Milenkovic , Navin Kashyap

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…

Machine Learning · Computer Science 2020-06-11 Xinshi Chen , Yu Li , Ramzan Umarov , Xin Gao , Le Song

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

RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA…

Data Structures and Algorithms · Computer Science 2025-05-06 Tianshuo Zhou , Wei Yu Tang , Apoorv Malik , David H. Mathews , Liang Huang

Rising costs in recent years of developing new drugs and treatments have led to extensive research in optimization techniques in biomolecular design. Currently, the most widely used approach in biomolecular design is directed evolution,…

Machine Learning · Computer Science 2021-11-09 Alexander Whatley , Zhekun Luo , Xiangru Tang

It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution. Hence, prediction of conserved secondary structures from…

Biomolecules · Quantitative Biology 2013-07-09 Michiaki Hamada

RNA secondary structure prediction and classification are two important problems in the field of RNA biology. Here, we propose a new permutation based approach to create logical non-disjoint clusters of different secondary structures of a…

Biomolecules · Quantitative Biology 2014-03-24 Nilay Chheda , Manish K Gupta

Background: RNA exhibits a variety of structural configurations. Here we consider a structure to be tantamount to the noncrossing Watson-Crick and \pairGU-base pairings (secondary structure) and additional cross-serial base pairs. These…

Combinatorics · Mathematics 2010-03-12 James Z. M. Gao , Linda Y. M. Li , Christian M. Reidys

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

The design of multi-stable RNA molecules has important applications in biology, medicine, and biotechnology. Synthetic design approaches profit strongly from effective in-silico methods, which can tremendously impact their cost and…

Quantitative Methods · Quantitative Biology 2018-06-24 Stefan Hammer , Yann Ponty , Wei Wang , Sebastian Will

RNA design is the search for a sequence or set of sequences that will fold into predefined structures, also known as the inverse problem of RNA folding. While numerous RNA design methods have been invented to find sequences capable of…

Biomolecules · Quantitative Biology 2024-08-13 Tianshuo Zhou , Wei Yu Tang , David H. Mathews , Liang Huang

Background: RNA exhibits a variety of structural configurations. Here we consider a structure to be tantamount to the noncrossing Watson-Crick and \pairGU-base pairings (secondary structure) and additional cross-serial base pairs. These…

Combinatorics · Mathematics 2010-03-11 James Z. M. Gao , Linda Y. M. Li , Christian M. Reidys

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…

Biomolecules · Quantitative Biology 2020-01-14 Liang Huang , He Zhang , Dezhong Deng , Kai Zhao , Kaibo Liu , David A. Hendrix , David H. Mathews

RNA plays a pivotal role in diverse biological processes, ranging from gene regulation to catalysis. Recent advances in RNA design, such as RfamGen, Ribodiffusion and RDesign, have demonstrated promising results, with successful designs of…

Biomolecules · Quantitative Biology 2025-03-11 Letian Gao , Zhi John Lu

RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like…

Machine Learning · Computer Science 2026-01-28 Qi Si , Xuyang Liu , Penglei Wang , Xin Guo , Yuan Qi , Yuan Cheng

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

Designing structurally stable RNA sequences with specific motifs and other desirable properties is an important challenge in bioinformatics. The potential design space increases exponentially with the length of the RNA to be engineered,…

Quantitative Methods · Quantitative Biology 2025-07-23 Narges Zarnaghinaghsh , Byung-Jun Yoon

RNA co-transcriptionality is the process where RNA sequences are spliced while being transcribed from DNA templates. This process holds potential as a key tool for molecular programming. Co-transcriptional folding has been shown to be…

Formal Languages and Automata Theory · Computer Science 2025-06-19 Da-Jung Cho , Szilárd Zsolt Fazekas , Shinnosuke Seki , Max Wiedenhöft

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base…

Artificial Intelligence · Computer Science 2025-02-04 L. I. Zablocki , L. A. Bugnon , M. Gerard , L. Di Persia , G. Stegmayer , D. H. Milone