蛋白质-蛋白质相互作用
计算机科学
Web服务器
万维网
Web应用程序
计算生物学
化学
互联网
生物
生物化学
作者
Qingyu Bian,Zheyuan Shen,Jian Gao,Liteng Shen,Yang Lu,Qingnan Zhang,Roufen Chen,Donghang Xu,Tao Liu,Jinxin Che,Yan Lu,Xiaowu Dong
标识
DOI:10.1021/acs.jcim.4c01365
摘要
Predicting protein-protein interactions (PPIs) is crucial for advancing drug discovery. Despite the proposal of numerous advanced computational methods, these approaches often suffer from poor usability for biologists and lack generalization. In this study, we designed a deep learning model based on a coattention mechanism that was capable of both PPI and site prediction and used this model as the foundation for PPI-CoAttNet, a user-friendly, multifunctional web server for PPI prediction. This platform provides comprehensive services for online PPI model training, PPI and site prediction, and prediction of interactions with proteins associated with highly prevalent cancers. In our Homo sapiens test set for PPI prediction, PPI-CoAttNet achieved an AUC of 0.9841 and an F1 score of 0.9440, outperforming most state-of-the-art models. Additionally, these results are generated in real time, delivering outcomes within minutes. We also evaluated PPI-CoAttNet for downstream tasks, including novel E3 ligase scoring, demonstrating outstanding accuracy. We believe that this tool will empower researchers, especially those without computational expertise, to leverage AI for accelerating drug development.
科研通智能强力驱动
Strongly Powered by AbleSci AI