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Synthesis and efficient implementation mRNA strands has been shown to have wide utility, especially recently in the development of COVID vaccines. However, the intrinsic chemical stability of mRNA poses a challenge due to the presence of…

Quantitative Methods · Quantitative Biology 2021-09-28 Ankit Singhal

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…

Biomolecules · Quantitative Biology 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

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…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

RNA structure and functional dynamics play fundamental roles in controlling biological systems. Molecular dynamics simulation, which can characterize interactions at an atomistic level, can advance the understanding on new drug discovery,…

Molecular Networks · Quantitative Biology 2023-06-21 Hua Zheng , Wei Xie , Paul Whitford , Ailun Wang , Chunsheng Fang , Wandi Xu

While RNA technologies hold immense therapeutic potential in a range of applications from vaccination to gene editing, the broad implementation of these technologies is hindered by the challenge of delivering these agents effectively. Lipid…

Biomolecules · Quantitative Biology 2023-08-30 Daisy Yi Ding , Yuhui Zhang , Yuan Jia , Jiuzhi Sun

RNA function is tied to secondary structure, operating through dynamic and heterogeneous structural ensembles. While current analysis tools typically output single static structures or averaged contact maps, chemical probing methods like…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Jianhui Li , Redmond P. Smyth , Guido Sanguinetti , Giovanni Bussi

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

Medical crowdfunding is a popular channel for people needing financial help paying medical bills to collect donations from large numbers of people. However, large heterogeneity exists in donations across cases, and fundraisers face…

Machine Learning · Computer Science 2019-11-25 Tong Wang , Fujie Jin , Yu Hu , Yuan Cheng

Nonsense-mediated mRNA decay (NMD) is a critical post-transcriptional surveillance mechanism that degrades transcripts with premature termination codons, safeguarding transcriptome integrity and shaping disease phenotypes. However,…

Genomics · Quantitative Biology 2025-02-21 Ali Saadat , Jacques Fellay

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.…

With the development of deep learning (DL) techniques, rotating machinery intelligent diagnosis has gone through tremendous progress with verified success and the classification accuracies of many DL-based intelligent diagnosis algorithms…

Signal Processing · Electrical Eng. & Systems 2020-08-20 Zhibin Zhao , Tianfu Li , Jingyao Wu , Chuang Sun , Shibin Wang , Ruqiang Yan , Xuefeng Chen

Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to lead optimization. Yet a fundamental limitation emerges:…

Biomolecules · Quantitative Biology 2025-12-18 Wissam Karroucha , Carlos Oliver , Veronique Stoven , Vincent Mallet

Downscaling, or super-resolution, provides decision-makers with detailed, high-resolution information about the potential risks and impacts of climate change, based on climate model output. Machine learning algorithms are proving themselves…

Atmospheric and Oceanic Physics · Physics 2024-04-30 Robbie A. Watt , Laura A. Mansfield

Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are still challenges associated with developing a solubility…

Materials Science · Physics 2022-09-05 Gihan Panapitiya , Michael Girard , Aaron Hollas , Vijay Murugesan , Wei Wang , Emily Saldanha

In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…

Quantitative Methods · Quantitative Biology 2020-05-07 Semion Rozov

Cancer claims millions of lives yearly worldwide. While many therapies have been made available in recent years, by in large cancer remains unsolved. Exploiting computational predictive models to study and treat cancer holds great promise…

Quantitative Methods · Quantitative Biology 2022-11-22 Alexander Partin , Thomas S. Brettin , Yitan Zhu , Oleksandr Narykov , Austin Clyde , Jamie Overbeek , Rick L. Stevens

PROTACs are a promising therapeutic modality that harnesses the cell's built-in degradation machinery to degrade specific proteins. Despite their potential, developing new PROTACs is challenging and requires significant domain expertise,…

Quantitative Methods · Quantitative Biology 2024-09-30 Stefano Ribes , Eva Nittinger , Christian Tyrchan , Rocío Mercado

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

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…

Biomolecules · Quantitative Biology 2021-09-15 Qi Zhao , Zheng Zhao , Xiaoya Fan , Zhengwei Yuan , Qian Mao , Yudong Yao

Long non-coding RNA, microRNA, and messenger RNA enable key regulations of various biological processes through a variety of diverse interaction mechanisms. Identifying the interactions and cross-talk between these heterogeneous RNA classes…

Molecular Networks · Quantitative Biology 2020-12-10 Nhat Tran , Jean Gao
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