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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

We model the evolution of eukaryotic protein-protein interaction (PPI) networks. In our model, PPI networks evolve by two known biological mechanisms: (1) Gene duplication, which is followed by rapid diversification of duplicate…

Molecular Networks · Quantitative Biology 2015-01-07 Jack Peterson , Steve Presse , Kristin S. Peterson , Ken A. Dill

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational methods for protein interface prediction (PIP) come highly…

Quantitative Methods · Quantitative Biology 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

Computational Engineering, Finance, and Science · Computer Science 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar

Here we present ComPPI, a cellular compartment specific database of proteins and their interactions enabling an extensive, compartmentalized protein-protein interaction network analysis (http://ComPPI.LinkGroup.hu). ComPPI enables the user…

Molecular Networks · Quantitative Biology 2015-01-14 Daniel V. Veres , David M. Gyurko , Benedek Thaler , Kristof Z. Szalay , David Fazekas , Tamas Korcsmaros , Peter Csermely

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a…

Computational Engineering, Finance, and Science · Computer Science 2024-03-01 Ziqi Gao , Xiangguo Sun , Zijing Liu , Yu Li , Hong Cheng , Jia Li

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

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

Many protein-protein interaction (PPI) networks take place in the fluid yet structured plasma membrane. Lipid domains, sometimes termed rafts, have been implicated in the functioning of various membrane-bound signaling processes. Here, we…

Biological Physics · Physics 2025-11-03 Taylor Schaffner , Benjamin B. Machta

Detecting protein-protein interactions (PPIs) is crucial for understanding genetic mechanisms, disease pathogenesis, and drug design. However, with the fast-paced growth of biomedical literature, there is a growing need for automated and…

Computation and Language · Computer Science 2023-12-14 Hasin Rehana , Nur Bengisu Çam , Mert Basmaci , Jie Zheng , Christianah Jemiyo , Yongqun He , Arzucan Özgür , Junguk Hur

Polyphenols and proteins are essential biomolecules that influence food functionality and, by extension, human health. Their interactions -- hereafter referred to as PhPIs (polyphenol-protein interactions) -- affect key processes such as…

Biomolecules · Quantitative Biology 2025-08-06 Qiang Liu , Tiantian Wang , Binbin Nian , Feiyang Ma , Siqi Zhao , Andrés F. Vásquez , Liping Guo , Chao Ding , Mehdi D. Davari

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

Given the vastness of chemical space and the ongoing emergence of previously uncharacterized proteins, zero-shot compound-protein interaction (CPI) prediction better reflects the practical challenges and requirements of real-world drug…

Machine Learning · Computer Science 2025-07-29 Hongzhi Zhang , Zhonglie Liu , Kun Meng , Jiameng Chen , Jia Wu , Bo Du , Di Lin , Yan Che , Wenbin Hu

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

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 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

Knowledge about protein-protein interactions is essential in understanding the biological processes such as metabolic pathways, DNA replication, and transcription etc. However, a majority of the existing Protein-Protein Interaction (PPI)…

Information Retrieval · Computer Science 2018-07-09 Shweta Yadav , Ankit Kumar , Asif Ekbal , Sriparna Saha , Pushpak Bhattacharyya

Specific protein-protein interactions are crucial in the cell, both to ensure the formation and stability of multi-protein complexes, and to enable signal transduction in various pathways. Functional interactions between proteins result in…

Biological Physics · Physics 2016-11-21 Anne-Florence Bitbol , Robert S. Dwyer , Lucy J. Colwell , Ned S. Wingreen

Protein-protein interaction (PPI) prediction is an important problem in machine learning and computational biology. However, there is no data set for training or evaluation purposes, where all the instances are accurately labeled. Instead,…

Artificial Intelligence · Computer Science 2015-09-21 Haohan Wang , Madhavi K. Ganapathiraju