Accurate and Generalizable Protein-Ligand Binding Affinity Prediction With Geometric Deep Learning

<italic>Goal:</italic> Protein-ligand binding complexes are ubiquitous and essential to life. Protein-ligand binding affinity prediction (PLA) quantifies the binding strength between ligands and proteins, providing crucial insights for discovering and designing potential candidate ligands. While rec...

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Autors principals:	Krinos Li, Xianglu Xiao, Zijun Zhong, Guang Yang
Format:	Artigo
Idioma:	Inglês
Publicat:	IEEE 2026-01-01
Col·lecció:	IEEE Open Journal of Engineering in Medicine and Biology
Matèries:	Deep learning drug discovery physics-informed neural networks protein-ligand binding affinity prediction
Accés en línia:	https://ieeexplore.ieee.org/document/11406890/
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