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Protein-protein interactions (PPIs) are critical to normal cellular function and are related to many disease pathways. However, only 4% of PPIs are annotated with PTMs in biological knowledge databases such as IntAct, mainly performed…

Machine Learning · Computer Science 2022-01-10 Aparna Elangovan , Yuan Li , Douglas E. V. Pires , Melissa J. Davis , Karin Verspoor

Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a…

Molecular Networks · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

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

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Discovering disease pathways, which can be defined as sets of proteins associated with a given disease, is an important problem that has the potential to provide clinically actionable insights for disease diagnosis, prognosis, and…

Molecular Networks · Quantitative Biology 2017-12-05 Monica Agrawal , Marinka Zitnik , Jure Leskovec

Complexes of physically interacting proteins constitute fundamental functional units responsible for driving biological processes within cells. A faithful reconstruction of the entire set of complexes is therefore essential to understand…

Molecular Networks · Quantitative Biology 2015-05-21 Sriganesh Srihari , Chern Han Yong , Ashwini Patil , Limsoon Wong

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

Proteins interact with other proteins within biological pathways, forming connected subgraphs in the protein-protein interactome (PPI). Proteins are often involved in multiple biological pathways which complicates interpretation of…

Molecular Networks · Quantitative Biology 2012-12-04 Sira Sriswasdi , Shane T. Jensen

Since proteins carry out biological processes by interacting with other proteins, analyzing the structure of protein-protein interaction (PPI) networks could explain complex biological mechanisms, evolution, and disease. Similarly, studying…

Molecular Networks · Quantitative Biology 2010-04-22 Vesna Memisevic , Tijana Milenkovic , Natasa Przulj

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

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 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

Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism. Since the biophysical and high-throughput methods used to form PPI networks are expensive,…

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

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

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

The identification of compound-protein interactions (CPI) plays a critical role in drug screening, drug repurposing, and combination therapy studies. The effectiveness of CPI prediction relies heavily on the features extracted from both…

Biomolecules · Quantitative Biology 2023-06-16 Li Zhang , Wenhao Li , Haotian Guan , Zhiquan He , Mingjun Cheng , Han Wang

Background: Protein-protein interaction (PPI) network analyses are highly valuable in deciphering and understanding the intricate organisation of cellular functions. Nevertheless, the majority of available protein-protein interaction…

Molecular Networks · Quantitative Biology 2015-01-08 Oussema Souiai , Fatma Guerfali , Slimane Ben Miled , Christine Brun , Alia Benkahla

Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes. Despite the development of numerous scoring functions in…

Biomolecules · Quantitative Biology 2024-01-22 Haoyu Lin , Shiwei Wang , Jintao Zhu , Yibo Li , Jianfeng Pei , Luhua Lai

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon