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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

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

Motivation: Prediction of the interaction affinity between proteins and compounds is a major challenge in the drug discovery process. WideDTA is a deep-learning based prediction model that employs chemical and biological textual sequence…

Quantitative Methods · Quantitative Biology 2019-02-13 Hakime Öztürk , Elif Ozkirimli , Arzucan Özgür

While most studies emphasize on certain aspects of Pathogen-Host Interactions (PHI), such as the preferential attachment of bacteria or virus to its human receptor homolog, studies have attempted to methodically classify interactions among…

Molecular Networks · Quantitative Biology 2016-09-13 S. Chatterjee , B. S. Sanjeev

The identification of essential proteins in protein-protein interaction networks (PINs) can help to discover drug targets and prevent disease. In order to improve the accuracy of the identification of essential proteins, researchers…

Molecular Networks · Quantitative Biology 2023-12-08 Haoyue Wang , Li Pan , Bo Yang , Junqiang Jiang , Wenbin Li

In a shotgun proteomics experiment, proteins are the most biologically meaningful output. The success of proteomics studies depends on the ability to accurately and efficiently identify proteins. Many methods have been proposed to…

Quantitative Methods · Quantitative Biology 2012-11-30 Chao Yang , Zengyou He , Weichuan Yu

Traditional drug discovery processes are both time-consuming and require extensive professional expertise. With the accumulation of drug-target interaction (DTI) data from experimental studies, leveraging modern machine-learning techniques…

Quantitative Methods · Quantitative Biology 2024-12-12 Shuqi Li , Shufang Xie , Hongda Sun , Yuhan Chen , Tao Qin , Tianjun Ke , Rui Yan

We instruct an AI agent to construct two separate agentic AI platforms: one for autonomous training of predictive ML models for human-human and virus-human PPI, and the other for inducing explicit general rules governing human-human and…

Artificial Intelligence · Computer Science 2026-04-28 Hung N. Do , Jessica Z. Kubicek-Sutherland , Oscar A. Negrete , S. Gnanakaran

The number of biomedical research articles published has doubled in the past 20 years. Search engine based systems naturally center around searching, but researchers may not have a clear goal in mind, or the goal may be expressed in a query…

Digital Libraries · Computer Science 2017-10-25 Jessica Perrie , Yanqi Hao , Zack Hayat , Recep Colak , Kelly Lyons , Shankar Vembu , Sam Molyneux

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

Biomedical research has revealed the crucial role of miRNAs in the progression of many diseases, and computational prediction methods are increasingly proposed for assisting biological experiments to verify miRNA-disease associations…

Computational Engineering, Finance, and Science · Computer Science 2023-08-29 Yi Zhou , Meixuan Wu , Chengzhou Ouyang , Min Zhu

Identifying the entire set of complexes is essential not only to understand complex formations, but also to map the high level organisation of the cell. Computational prediction of protein complexes faces several challenges including the…

Molecular Networks · Quantitative Biology 2015-06-08 Sriganesh Srihari

Protein-peptide interactions play essential functional roles in living organisms and their structural characterization is a hot subject of current experimental and theoretical research. Computational modeling of the structure of…

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

Accurate systems for extracting Protein-Protein Interactions (PPIs) automatically from biomedical articles can help accelerate biomedical research. Biomedical Informatics researchers are collaborating to provide metaservices and advance the…

Computation and Language · Computer Science 2010-03-18 Siddhartha Jonnalagadda , Graciela Gonzalez

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance…

Molecular Networks · Quantitative Biology 2023-05-16 Ziyuan Zhao , Peisheng Qian , Xulei Yang , Zeng Zeng , Cuntai Guan , Wai Leong Tam , Xiaoli Li

Opioid use disorder (OUD) continuously poses major public health challenges and social implications worldwide with dramatic rise of opioid dependence leading to potential abuse. Despite that a few pharmacological agents have been approved…

Biomolecules · Quantitative Biology 2023-01-13 Hongsong Feng , Rana Elladki , Jian Jiang , Guo-Wei Wei

Owing to the complexity of higher eukaryotic cells, a complete proteome is likely to be very difficult to achieve. However, advantage can be taken of the cell compartmentalization to build organelle proteomes, which can moreover be viewed…

Motivation: High-throughput experimental techniques have been producing more and more protein-protein interaction (PPI) data. PPI network alignment greatly benefits the understanding of evolutionary relationship among species, helps…

Data Structures and Algorithms · Computer Science 2016-04-13 Somaye Hashemifar , Qixing Huang , Jinbo XU

The idea that structural disorder might be a novel mechanism of protein interaction is widespread in the Literature, although the number of statistically significant structural studies supporting this is surprisingly low. At variance with…

Disordered Systems and Neural Networks · Physics 2021-03-01 Beatriz Seoane , Alessandra Carbone