ProAffinity-GNN: A Novel Approach to Structure-Based Protein–Protein Binding Affinity Prediction via a Curated Data Set and Graph Neural Networks

Protein–protein interactions (PPIs) are crucial for understanding biological processes and disease mechanisms, contributing significantly to advances in protein engineering and drug discovery. The accurate determination of binding affinities, essential for decoding PPIs, faces challenges due to the...

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Veröffentlicht in:	Journal of chemical information and modeling 2024-12, Vol.64 (23), p.8796-8808
Hauptverfasser:	Zhou, Zhiyuan, Yin, Yueming, Han, Hao, Jia, Yiping, Koh, Jun Hong, Kong, Adams Wai-Kin, Mu, Yuguang
Format:	Artikel
Sprache:	eng
Schlagworte:	Accuracy Affinity Binding Biological activity Databases, Protein Datasets Graph neural networks Machine learning Machine Learning and Deep Learning Models, Molecular Neural networks Neural Networks, Computer Predictions Protein Binding Protein Conformation Protein Interaction Mapping - methods Proteins Proteins - chemistry Proteins - metabolism
Online-Zugang:	Volltext
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