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Related papers: Assigning function to protein-protein interactions…

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Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned…

Quantitative Methods · Quantitative Biology 2025-06-18 Xiang Ma , Supantha Dey , Vaishnavey SR , Casey Zelinski , Qi Li , Ratul Chowdhury

Aligning protein interaction networks (PPI) of two or more organisms consists of finding a mapping of the nodes (proteins) of the networks that captures important structural and functional associations (similarity). It is a well studied but…

Molecular Networks · Quantitative Biology 2020-10-12 Concettina Guerra , Pietro Hiram Guzzi

The availability of biomedical text data and advances in natural language processing (NLP) have made new applications in biomedical NLP possible. Language models trained or fine tuned using domain specific corpora can outperform general…

Computation and Language · Computer Science 2021-07-12 Usman Naseem , Adam G. Dunn , Matloob Khushi , Jinman Kim

Understanding protein-protein interactions is central to our understanding of almost all complex biological processes. Computational tools exploiting rapidly growing genomic databases to characterize protein-protein interactions are…

Quantitative Methods · Quantitative Biology 2016-10-28 Thomas Gueudré , Carlo Baldassi , Marco Zamparo , Martin Weigt , Andrea Pagnani

The ongoing opioid crisis highlights the urgent need for novel therapeutic strategies that can be rapidly deployed. This study presents a novel approach to identify potential repurposable drugs for the treatment of opioid addiction, aiming…

Molecular Networks · Quantitative Biology 2025-09-25 Chunhuan Zhang , Sean Cottrell , Benjamin Jones , Yueying Zhu , Huahai Qiu , Bengong Zhang , Tianshou Zhou , Jian Jiang

Protein function is driven by cohesive substructures, such as catalytic triads, binding pockets, and structural motifs, that occupy only a small fraction of a protein's residues. Yet existing pipelines built on protein encoders do not model…

Biomolecules · Quantitative Biology 2026-05-18 Xin Wang , Kaiwen Shi , Carlos Oliver

Scientific literature contains a considerable amount of information that provides an excellent opportunity for developing text mining methods to extract biomedical relationships. An important type of information is the relationship between…

Computation and Language · Computer Science 2023-08-08 Mohammad Dehghani , Behrouz Bokharaeian , Zahra Yazdanparast

Living systems rely on coordinated molecular interactions, especially those related to gene expression and protein activity. The Unfolded Protein Response is a crucial mechanism in eukaryotic cells, activated when unfolded proteins exceed a…

Accurate identification of bioactive peptides (BPs) and protein post-translational modifications (PTMs) is essential for understanding protein function and advancing therapeutic discovery. However, most computational methods remain limited…

Machine Learning · Computer Science 2025-12-05 Jixiu Zhai , Zikun Wang , Chupei Tang , Haitian Zhong , Ziyang Xu , Yuhuan Liu , Shengrui Xu , Jingwan Wang , Dan Huang , Tianchi Lu

Genomic duplication-divergence events, which are the primary source of new protein functions, occur stochastically at a wide range of genomic scales, from single gene to whole genome duplications. Clearly, this fundamental evolutionary…

Molecular Networks · Quantitative Biology 2007-05-23 Kirill Evlampiev , Herve Isambert

Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and…

Machine Learning · Computer Science 2025-01-06 Yuwei Miao , Yuzhi Guo , Hehuan Ma , Jingquan Yan , Feng Jiang , Rui Liao , Junzhou Huang

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

Protein-protein interaction (PPI) represents a central challenge within the biology field, and accurately predicting the consequences of mutations in this context is crucial for drug design and protein engineering. Deep learning (DL) has…

Machine Learning · Computer Science 2026-01-13 Fang Wu , Stan Z. Li

Bioinformatics workflows are essential for complex biological data analyses and are often described in scientific articles with source code in public repositories. Extracting detailed workflow information from articles can improve…

Computation and Language · Computer Science 2025-03-11 Clémence Sebe , Sarah Cohen-Boulakia , Olivier Ferret , Aurélie Névéol

The widespread of Coronavirus has led to a worldwide pandemic with a high mortality rate. Currently, the knowledge accumulated from different studies about this virus is very limited. Leveraging a wide-range of biological knowledge, such as…

Molecular Networks · Quantitative Biology 2021-03-09 Junheng Hao , Chelsea Ju , Muhao Chen , Yizhou Sun , Carlo Zaniolo , Wei Wang

Accurate identification of interactions between protein residues and ligand functional groups is essential to understand molecular recognition and guide rational drug design. Existing deep learning approaches for protein-ligand…

Machine Learning · Computer Science 2025-09-04 Phuc Pham , Viet Thanh Duy Nguyen , Truong-Son Hy

In Track-1 of the BioCreative VII Challenge participants are asked to identify interactions between drugs/chemicals and proteins. In-context named entity annotations for each drug/chemical and protein are provided and one of fourteen…

Computation and Language · Computer Science 2021-12-01 Virginia Adams , Hoo-Chang Shin , Carol Anderson , Bo Liu , Anas Abidin

We study the correlation between the codon usage bias of genetic sequences and the network features of protein-protein interaction (PPI) in bacterial species. We use PCA techniques in the space of codon bias indices to show that genes with…

Genomics · Quantitative Biology 2021-02-23 Maddalena Dilucca , Giulio Cimini , Sergio Forcelloni , Andrea Giansanti

Clinical notes contain an abundance of important but not-readily accessible information about patients. Systems to automatically extract this information rely on large amounts of training data for which their exists limited resources to…

Computation and Language · Computer Science 2020-04-23 Andriy Mulyar , Bridget T. McInnes

Protein-ligand bioactivity data published in the literature are essential for drug discovery, yet manual curation struggles to keep pace with rapidly growing literature. Automated bioactivity extraction remains challenging because it…

Artificial Intelligence · Computer Science 2026-04-24 Jiaxian Yan , Jintao Zhu , Yuhang Yang , Qi Liu , Kai Zhang , Zaixi Zhang , Xukai Liu , Boyan Zhang , Kaiyuan Gao , Jinchuan Xiao , Enhong Chen