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One of the most challenging and long-standing problems in computational biology is the prediction of three-dimensional protein structure from amino acid sequence. A promising approach to infer spatial proximity between residues is the study…

Biomolecules · Quantitative Biology 2014-04-28 Massimo Andreatta , Santiago Laplagne , Shuai Cheng Li , Stephen Smale

SARS-CoV-2 is an upper respiratory system RNA virus that has caused over 3 million deaths and infecting over 150 million worldwide as of May 2021. With thousands of strains sequenced to date, SARS-CoV-2 mutations pose significant challenges…

Quantitative Methods · Quantitative Biology 2021-11-15 Yanyi Ding , Zhiyi Kuang , Yuxin Pei , Jeff Tan , Ziyu Zhang , Joseph Konan

Sequence alignment has had an enormous impact on our understanding of biology, evolution, and disease. The alignment of biological {\em networks} holds similar promise. Biological networks generally model interactions between biomolecules…

Molecular Networks · Quantitative Biology 2019-11-25 Wayne B. Hayes

Solving stiff ordinary differential equations (StODEs) requires sophisticated numerical solvers, which are often computationally expensive. In general, traditional explicit time integration schemes with restricted time step sizes are not…

Machine Learning · Statistics 2025-11-20 William Cole Nockolds , C. G. Krishnanunni , Tan Bui-Thanh , Xianxhu Tang

Surges that have been observed at different periods in the number of COVID-19 cases are associated with the emergence of multiple SARS-CoV-2 (Severe Acute Respiratory Virus) variants. The design of methods to support laboratory detection…

How can we design protein sequences folding into the desired structures effectively and efficiently? AI methods for structure-based protein design have attracted increasing attention in recent years; however, few methods can simultaneously…

Artificial Intelligence · Computer Science 2023-04-14 Zhangyang Gao , Cheng Tan , Pablo Chacón , Stan Z. Li

RNA-seq has rapidly become the de facto technique to measure gene expression. However, the time required for analysis has not kept up with the pace of data generation. Here we introduce Sailfish, a novel computational method for quantifying…

Genomics · Quantitative Biology 2014-04-25 Rob Patro , Stephen M. Mount , Carl Kingsford

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…

Biological Physics · Physics 2009-09-25 Elena Rivas , Sean R. Eddy

With recent advances in sequencing technology it has become affordable and practical to sequence genomes to very high depth-of-coverage, allowing researchers to discover low-frequency variants in the genome. However, due to the errors in…

Genomics · Quantitative Biology 2021-05-10 Bryce Kille , Yunxi Liu , Nicolae Sapoval , Michael Nute , Lawrence Rauchwerger , Nancy Amato , Todd J. Treangen

The SARS-CoV-2 RNA pseudoknot is a promising target for antiviral intervention, as it regulates the efficiency of $-$1 programmed ribosomal frameshifting ($-$1 PRF), a mechanism that is essential for viral protein synthesis. The pseudoknot…

Biological Physics · Physics 2026-05-05 Mariia Ivonina , Jakub Rydzewski

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

Recurrent neural networks have achieved great success in many NLP tasks. However, they have difficulty in parallelization because of the recurrent structure, so it takes much time to train RNNs. In this paper, we introduce sliced recurrent…

Computation and Language · Computer Science 2018-07-09 Zeping Yu , Gongshen Liu

Protein structure prediction helps to understand gene translation and protein function, which is of growing interest and importance in structural biology. The AlphaFold model, which used transformer architecture to achieve atomic-level…

Machine Learning · Computer Science 2023-02-07 Shenggan Cheng , Xuanlei Zhao , Guangyang Lu , Jiarui Fang , Zhongming Yu , Tian Zheng , Ruidong Wu , Xiwen Zhang , Jian Peng , Yang You

An RNA sequence is a word over an alphabet on four elements $\{A,C,G,U\}$ called bases. RNA sequences fold into secondary structures where some bases match one another while others remain unpaired. Pseudoknot-free secondary structures can…

Data Structures and Algorithms · Computer Science 2018-03-28 Édouard Bonnet , Paweł Rzążewski , Florian Sikora

Today when many practitioners run basic NLP on the entire web and large-volume traffic, faster methods are paramount to saving time and energy costs. Recent advances in GPU hardware have led to the emergence of bi-directional LSTMs as a…

Computation and Language · Computer Science 2017-07-25 Emma Strubell , Patrick Verga , David Belanger , Andrew McCallum

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…

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic resolution in some…

Quantitative Methods · Quantitative Biology 2022-01-26 Mu Gao , Mark Coletti , Russell B. Davidson , Ryan Prout , Subil Abraham , Benjamin Hernandez , Ada Sedova

Current computational methods for exon-intron structure prediction from a cluster of transcript (EST, mRNA) data do not exhibit the time and space efficiency necessary to process large clusters of over than 20,000 ESTs and genes longer than…

Genomics · Quantitative Biology 2010-05-11 Paola Bonizzoni , Gianluca Della Vedova , Yuri Pirola , Raffaella Rizzi

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

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…