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Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…

The computer-aided folding of biomolecules, particularly RNAs, is one of the most difficult challenges in computational structural biology. RNA tetraloops are fundamental RNA motifs playing key roles in RNA folding and RNA-RNA and…

Biomolecules · Quantitative Biology 2016-09-28 Petra Kührová , Robert B. Best , Sandro Bottaro , Giovanni Bussi , Jiří Šponer , Michal Otyepka , Pavel Banáš

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

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

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

This article discusses the integration of the Artificial Bee Colony (ABC) algorithm with two supervised learning methods, namely Artificial Neural Networks (ANNs) and Adaptive Network-based Fuzzy Inference System (ANFIS), for feature…

Systems and Control · Electrical Eng. & Systems 2025-01-14 Amir Pouya Masoumi , Leo Creedon , Ramen Ghosh , Nimra Munir , Ross McMorrow , Marion McAfee

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 computerized methods for RNA-RNA interaction structure prediction have been developed. Recently, $O(N^6)$ time and $O(N^4)$ space dynamic programming algorithms have become available that compute the partition function of RNA-RNA…

Mathematical Physics · Physics 2010-07-15 Andrew X. Li , Manja Marz , Jing Qin , Christian M. Reidys

This paper proposes ReBNet, an end-to-end framework for training reconfigurable binary neural networks on software and developing efficient accelerators for execution on FPGA. Binary neural networks offer an intriguing opportunity for…

Machine Learning · Computer Science 2018-03-29 Mohammad Ghasemzadeh , Mohammad Samragh , Farinaz Koushanfar

RNAs self-interact through hydrogen-bond base-pairing between nucleotides and fold into specific, stable structures that substantially govern their biochemical behaviour. Experimental characterization of these structures remains difficult,…

Quantum Physics · Physics 2023-05-02 Tristan Zaborniak , Juan Giraldo , Hausi Müller , Hosna Jabbari , Ulrike Stege

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.…

The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and…

Machine Learning · Computer Science 2026-05-11 Tianmeng Hu , Yongzheng Cui , Biao Luo , Ke Li

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

Biomolecules · Quantitative Biology 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette

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

Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this…

Biomolecules · Quantitative Biology 2026-01-02 Yi Zhou , Chan Lu , Yiming Ma , Wei Qu , Fei Ye , Kexin Zhang , Lan Wang , Minrui Gui , Quanquan Gu

Most efforts in Computer Vision focus on natural images or artwork, which differ significantly both in size and contents from the kind of data biomedical image processing deals with. Thus, Transfer Learning models often prove themselves…

Image and Video Processing · Electrical Eng. & Systems 2024-02-26 Adri Gomez Martin , Carlos Fernandez del Cerro , Monica Abella Garcia , Manuel Desco Menendez

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…

Biomolecules · Quantitative Biology 2024-02-08 He Zhang , Liang Zhang , David H. Mathews , Liang Huang

In this paper we propose a network aware approach for routing in graded network using Artificial Bee Colony (ABC) algorithm. ABC has been used as a good search process for optimality exploitation and exploration. The paper shows how ABC…

Networking and Internet Architecture · Computer Science 2014-08-06 Kavitha Sooda , T. R. Gopalakrishnan Nair

The computational study of conformational transitions in nucleic acids still faces many challenges. For example, in the case of single stranded RNA tetranucleotides, agreement between simulations and experiments is not satisfactory due to…

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

The primary structure of a ribonucleic acid (RNA) molecule can be represented as a sequence of nucleotides (bases) over the alphabet {A, C, G, U}. The secondary or tertiary structure of an RNA is a set of base pairs which form bonds between…

Data Structures and Algorithms · Computer Science 2015-01-05 Shihyen Chen , Zhuozhi Wang , Kaizhong Zhang