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We examine a pair of graph generative models for the therapeutic design of novel drug candidates targeting SARS-CoV-2 viral proteins. Due to a sense of urgency, we chose well-validated models with unique strengths: an autoencoder that…

Biomolecules · Quantitative Biology 2021-05-24 Jenna Bilbrey , Logan Ward , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman

The novelty of new human coronavirus COVID-19/SARS-CoV-2 and the lack of effective drugs and vaccines gave rise to a wide variety of strategies employed to fight this worldwide pandemic. Many of these strategies rely on the repositioning of…

Molecular Networks · Quantitative Biology 2021-06-09 Giulia Fiscon , Federica Conte , Lorenzo Farina , Paola Paci

The research community continues to seek increasingly more advanced synthetic data generators to reliably evaluate the strengths and limitations of machine learning methods. This work aims to increase the availability of datasets…

Machine Learning · Computer Science 2026-01-30 Joanna Komorniczak

The outbreak of COVID-19 caused millions of deaths worldwide, and the number of total infections is still rising. It is necessary to identify some potentially effective drugs that can be used to prevent the development of severe symptoms or…

Molecular Networks · Quantitative Biology 2022-09-07 Fan Hu , Jiaxin Jiang , Peng Yin

Extracting associations that recur across multiple studies while controlling the false discovery rate is a fundamental challenge. Here, we consider an extension of Efron's single-study two-groups model to allow joint analysis of multiple…

Methodology · Statistics 2019-01-14 David Amar , Ron Shamir , Daniel Yekutieli

In winter of 2020, SARS-CoV-2 emerged as a global threat, impacting not only health but also financial and political stability. To address the societal need for monitoring the spread of SARS-CoV-2, many existing diagnostic technologies were…

Computational methods for discovering patterns of local correlations in sequences are important in computational biology. Here we show how to determine the optimal partitioning of aligned sequences into non-overlapping segments such that…

Computational Engineering, Finance, and Science · Computer Science 2012-06-26 Joseph Bockhorst , Nebojsa Jojic

Genome-wide association studies (GWAS) have identified hundreds of loci at very stringent levels of statistical significance across many different human traits. However, it is now clear that very large samples (n~10^4-10^5) are needed to…

Genomics · Quantitative Biology 2013-08-20 Inti Pedroso

Motivation: With the rapid expansion of large-scale biological datasets, DNA and protein sequence alignments have become essential for comparative genomics and proteomics. These alignments facilitate the exploration of sequence similarity…

Genomics · Quantitative Biology 2024-12-02 Michail Patsakis , Kimonas Provatas , Ioannis Mouratidis , Ilias Georgakopoulos-Soares

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

Multiple sequence alignment is a basic procedure in molecular biology, and it is often treated as being essentially a solved computational problem. However, this is not so, and here I review the evidence for this claim, and outline the…

Populations and Evolution · Quantitative Biology 2018-08-24 David A. Morrison

Several recently devised machine learning (ML) algorithms have shown improved accuracy for various predictive problems. Model searches, which explore to find an optimal ML algorithm and hyperparameter values for the target problem, play a…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-28 Yoshiki Takahashi , Masato Asahara , Kazuyuki Shudo

The discovery of patterns that accurately discriminate one class label from another remains a challenging data mining task. Subgroup discovery (SD) is one of the frameworks that enables to elicit such interesting hypotheses from labeled…

Data Structures and Algorithms · Computer Science 2017-12-07 Guillaume Bosc , Jean-François Boulicaut , Chedy Raïssi , Mehdi Kaytoue

Background: Advances in high throughput sequencing technologies provide a huge number of genomes to be analyzed. Thus, computational methods play a crucial role in analyzing and extracting knowledge from the data generated. Investigating…

Motivation: Computational methods are essential to extract actionable information from raw sequencing data, and to thus fulfill the promise of next-generation sequencing technology. Unfortunately, computational tools developed to call…

Traditional GWAS has advanced our understanding of complex diseases but often misses nonlinear genetic interactions. Deep learning offers new opportunities to capture complex genomic patterns, yet existing methods mostly depend on feature…

Machine Learning · Computer Science 2025-07-08 Iqra Farooq , Sara Atito , Ayse Demirkan , Inga Prokopenko , Muhammad Rana

We propose a frame-based representation of k-mers for detecting sequencing errors and rare variants in next generation sequencing data obtained from populations of closely related genomes. Frames are sets of non-orthogonal basis functions,…

Genomics · Quantitative Biology 2016-04-19 Raunaq Malhotra , Manjari Mukhopadhyay , Mary Poss , Raj Acharya

In medical genetics, each genetic variant is evaluated as an independent entity regarding its clinical importance. However, in most complex diseases, variant combinations in specific gene networks, rather than the presence of a particular…

Machine Learning · Computer Science 2023-01-30 Suha Tuna , Cagri Gulec , Emrah Yucesan , Ayse Cirakoglu , Yelda Tarkan Arguden

Upcoming many core processors are expected to employ a distributed memory architecture similar to currently available supercomputers, but parallel pattern mining algorithms amenable to the architecture are not comprehensively studied. We…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-10-28 Kazuki Yoshizoe , Aika Terada , Koji Tsuda