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Mapping genotypes to phenotypes (G2P) is a fundamental goal in biology. So called PhyloG2P methods are a relatively new set of tools that leverage replicated evolution in phylogenetically independent lineages to identify genomic regions…

Populations and Evolution · Quantitative Biology 2025-10-20 Arlie R. Macdonald , Maddie E. James , Jonathan D. Mitchell , Barbara R. Holland

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

Biomolecules · Quantitative Biology 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

Metaproteomics has become a crucial omics technology for studying microbiomes. In this area, the Unipept ecosystem, accessible at https://unipept.ugent.be, has emerged as an invaluable resource for analyzing metaproteomic data. It offers…

Molecular Networks · Quantitative Biology 2023-11-14 Tim Van Den Bossche , Pieter Verschaffelt , Tibo Vande Moortele , Peter Dawyndt , Lennart Martens , Bart Mesuere

Software libraries for Topological Data Analysis (TDA) offer limited support for interactive visualization. Most libraries only allow to visualize topological descriptors (e.g., persistence diagrams), and lose the connection with the…

Graphics · Computer Science 2022-04-22 Xueyi Bao , Guoxi Liu , Federico Iuricich

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in…

Biomolecules · Quantitative Biology 2023-05-24 Zaixi Zhang , Qi Liu

Leveraging hypergraph structures to model advanced processes has gained much attention over the last few years in many areas, ranging from protein-interaction in computational biology to image retrieval using machine learning. Hypergraph…

Human-Computer Interaction · Computer Science 2021-12-07 Maximilian T. Fischer , Alexander Frings , Daniel A. Keim , Daniel Seebacher

Personalizing generative models offers a way to guide image generation with user-provided references. Current personalization methods can invert an object or concept into the textual conditioning space and compose new natural sentences for…

This paper studies the haplotype assembly problem from an information theoretic perspective. A haplotype is a sequence of nucleotide bases on a chromosome, often conveniently represented by a binary string, that differ from the bases in the…

Information Theory · Computer Science 2014-05-13 Hongbo Si , Haris Vikalo , Sriram Vishwanath

Summary: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by the scientific community, PDBImages provides a means to…

Biomolecules · Quantitative Biology 2024-01-03 Adam Midlik , Sreenath Nair , Stephen Anyango , Mandar Deshpande , David Sehnal , Mihaly Varadi , Sameer Velankar

Gene/protein interactions provide critical information for a thorough understanding of cellular processes. Recently, considerable interest and effort has been focused on the construction and analysis of genome-wide gene networks. The large…

Molecular Networks · Quantitative Biology 2022-04-25 Xin Li , Hsinchun Chen , Zan Huang , Hua Su , Jesse D. Martinez

Phenomenological screening of small molecule libraries for anticancer activity yields potentially interesting candidate molecules, with a bottleneck in the determination of drug targets and the mechanism of anticancer action. A novel…

Molecular Networks · Quantitative Biology 2015-06-11 Alexey Chernobrovkin , Consuelo Marin Vicente , Neus Visa , Roman A. Zubarev

Cell type (e.g. pluripotent cell, fibroblast) is the end result of many complex processes that unfold due to evolutionary, developmental, and transformational stimuli. A cell's phenotype and the discrete, a priori states that define various…

Quantitative Methods · Quantitative Biology 2013-02-05 Bradly Alicea

Popular online enrichment analysis tools from the field of molecular systems biology provide users with the ability to submit their experimental results as gene sets for individual analysis. Such queries are kept private, and have never…

Molecular Networks · Quantitative Biology 2016-01-08 Avi Ma'ayan , Neil R. Clark

Objective For the UK Biobank standardized phenotype codes are associated with patients who have been hospitalized but are missing for many patients who have been treated exclusively in an outpatient setting. We describe a method for…

Quantitative Methods · Quantitative Biology 2022-12-13 Lu Yang , Sheng Wang , Russ B. Altman

Computational methods for assessing the likely impacts of mutations, known as variant effect predictors (VEPs), are widely used in the assessment and interpretation of human genetic variation, as well as in other applications like protein…

Data intensive research requires the support of appropriate datasets. However, it is often time-consuming to discover usable datasets matching a specific research topic. We formulate the dataset discovery problem on an attributed…

Information Retrieval · Computer Science 2021-06-08 Basmah Altaf , Shichao Pei , Xiangliang Zhang

Understanding protein function at the molecular level requires connecting residue-level annotations with physical and structural properties. This can be cumbersome and error-prone when functional annotation, computation of physico-chemical…

Biomolecules · Quantitative Biology 2025-06-26 Jordan C. Rozum , Hunter Ufford , Alexandria K. Im , Tong Zhang , David D. Pollock , Doo Nam Kim , Song Feng

Understanding how genetic variants influence cellular-level processes is an important step towards understanding how they influence important organismal-level traits, or "phenotypes", including human disease susceptibility. To this end…

Methodology · Statistics 2013-07-30 Heejung Shim , Matthew Stephens

In biomedical imaging, deep learning-based methods are state-of-the-art for every modality (virtual slides, MRI, etc.) In histopathology, these methods can be used to detect certain biomarkers or classify lesions. However, such techniques…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Adrien Nivaggioli , Nicolas Pozin , Rémy Peyret , Stéphane Sockeel , Marie Sockeel , Nicolas Nerrienet , Marceau Clavel , Clara Simmat , Catherine Miquel