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The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation…

Machine Learning · Computer Science 2021-06-02 Guofeng Lv , Zhiqiang Hu , Yanguang Bi , Shaoting Zhang

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of…

Machine Learning · Computer Science 2026-05-07 Zheng Ma , Jiazhen Chen , Lei Xin , Ali Ghodsi

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Identifying protein-protein interactions (PPI) is crucial for gaining in-depth insights into numerous biological processes within cells and holds significant guiding value in areas such as drug development and disease treatment. Currently,…

Quantitative Methods · Quantitative Biology 2025-01-30 Jiang Li , Yuan-Ting Li

Protein-ligand interactions (PLIs) are fundamental to biochemical research and their identification is crucial for estimating biophysical and biochemical properties for rational therapeutic design. Currently, experimental characterization…

Machine Learning · Statistics 2021-12-01 Carter Knutson , Mridula Bontha , Jenna A. Bilbrey , Neeraj Kumar

State-of-the-art methods for protein-protein interaction (PPI) extraction are primarily feature-based or kernel-based by leveraging lexical and syntactic information. But how to incorporate such knowledge in the recent deep learning methods…

Computation and Language · Computer Science 2017-06-08 Yifan Peng , Zhiyong Lu

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Computational protein-protein interaction (PPI) prediction techniques can contribute greatly in reducing time, cost and false-positive interactions compared to experimental approaches. Sequence is one of the key and primary information of…

Machine Learning · Computer Science 2022-03-29 Soumyadeep Debnath , Ayatullah Faruk Mollah

Protein-protein interactions (PPIs) play a crucial role in numerous biological processes. Developing methods that predict binding affinity changes under substitution mutations is fundamental for modelling and re-engineering biological…

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Machine Learning · Computer Science 2025-10-23 Xinzhe Zheng , Hao Du , Fanding Xu , Jinzhe Li , Zhiyuan Liu , Wenkang Wang , Tao Chen , Wanli Ouyang , Stan Z. Li , Yan Lu , Nanqing Dong , Yang Zhang

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

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 critical for various biological processes, and understanding their dynamics is essential for decoding molecular mechanisms and advancing fields such as cancer research and drug discovery. Mutations in…

Biomolecules · Quantitative Biology 2023-09-26 Md Masud Rana , Duc Duy Nguyen

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

Protein-protein interactions (PPIs) are fundamental for deciphering cellular functions,disease pathways,and drug discovery.Although existing neural networks and machine learning methods have achieved high accuracy in PPI prediction,their…

Machine Learning · Computer Science 2025-04-30 Qingzhi Yu , Shuai Yan , Wenfeng Dai , Xiang Cheng

Modeling the effects of mutations on the binding affinity plays a crucial role in protein engineering and drug design. In this study, we develop a novel deep learning based framework, named GraphPPI, to predict the binding affinity changes…

Biomolecules · Quantitative Biology 2021-09-15 Xianggen Liu , Yunan Luo , Sen Song , Jian Peng

Introduction Accurate prediction of protein-protein interactions (PPIs) is crucial for understanding cellular functions and advancing drug development. Existing in-silico methods use direct sequence embeddings from Protein Language Models…

Machine Learning · Computer Science 2025-10-17 Islam Akef Ebeid , Haoteng Tang , Pengfei Gu
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