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Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions (CPIs) is a critical component in this process, enabling…

Artificial Intelligence · Computer Science 2026-02-06 Zhe Wang , Zijing Liu , Chencheng Xu , Yuan Yao

The process of visually presenting networks is an effective way to understand entity relationships within the networks since it reveals the overall structure and topology of the network. Real networks are extremely difficult to visualize…

Social and Information Networks · Computer Science 2022-09-08 Jayamohan Pillai C. S. , Ayan Chatterjee , Geetha M. , Amitava Mukherjee

Aligning protein-protein interaction (PPI) networks of different species has drawn a considerable interest recently. This problem is important to investigate evolutionary conserved pathways or protein complexes across species, and to help…

Optimization and Control · Mathematics 2009-05-08 Mikhail Zaslavskiy , Francis Bach , Jean-Philippe Vert

PPI network alignment aims to find topological and functional similarities between networks of different species. Several alignment approaches have been proposed. Each of these approaches relies on a different alignment method and uses…

Quantitative Methods · Quantitative Biology 2019-11-25 Sarra Ghanjeti

Accurately predicting complex protein-protein interactions (PPIs) is crucial for decoding biological processes, from cellular functioning to disease mechanisms. However, experimental methods for determining PPIs are computationally…

Protein-protein interactions are of great importance in biochemical processes. Accurate prediction of protein-protein interaction sites (PPIs) is crucial for our understanding of biological mechanism. Although numerous approaches have been…

Quantitative Methods · Quantitative Biology 2023-09-26 Jiaxing Guo , Xuening Zhu , Zixin Hu , Xiaoxi Hu

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

We developed and validated an instrument to measure the perceived readability in data visualization: PREVis. Researchers and practitioners can easily use this instrument as part of their evaluations to compare the perceived readability of…

Human-Computer Interaction · Computer Science 2024-09-25 Anne-Flore Cabouat , Tingying He , Petra Isenberg , Tobias Isenberg

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Protein-protein interaction networks provide a graph-level view of cellular organization, yet their functional modules are overlapping, noisy, and difficult to interpret from cluster assignments alone. Existing community-detection methods…

Social and Information Networks · Computer Science 2026-05-21 Sima Soltani , Mehrdad Jalali , Yahya Forghani

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

Recent advances in AI for science have highlighted the power of contrastive learning in bridging heterogeneous biological data modalities. Building on this paradigm, we propose HIPPO (HIerarchical Protein-Protein interaction prediction…

Machine Learning · Computer Science 2025-08-05 Shiyi Liu , Buwen Liang , Yuetong Fang , Zixuan Jiang , Renjing Xu

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

Protein phosphorylation involves the reversible modification of a protein (substrate) residue by another protein (kinase). Liquid chromatography-mass spectrometry studies are rapidly generating massive protein phosphorylation datasets…

Protein-protein interaction (PPI) prediction plays a pivotal role in deciphering cellular functions and disease mechanisms. To address the limitations of traditional experimental methods and existing computational approaches in cross-modal…

Machine Learning · Computer Science 2025-04-29 Shengrui XU , Tianchi Lu , Zikun Wang , Jixiu Zhai

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 protein-protein interactions (PPIs) are crucial for understanding the majority of cellular processes. PPIs play important role in gene transcription regulation, cellular signaling, molecular basis of immune response and more. Moreover,…

Biomolecules · Quantitative Biology 2016-05-31 Maciej Pawel Ciemny , Mateusz Kurcinski , Andrzej Kolinski , Sebastian Kmiecik

Compound-Protein Interaction (CPI) prediction aims to predict the pattern and strength of compound-protein interactions for rational drug discovery. Existing deep learning-based methods utilize only the single modality of protein sequences…

Biomolecules · Quantitative Biology 2024-02-14 Lirong Wu , Yufei Huang , Cheng Tan , Zhangyang Gao , Bozhen Hu , Haitao Lin , Zicheng Liu , Stan Z. Li