PocketAnchor: Learning structure-based pocket representations for protein-ligand interaction prediction

Protein-ligand interactions are essential for cellular activities and drug discovery processes. Appropriately and effectively representing protein features is of vital importance for developing computational approaches, especially data-driven methods, for predicting protein-ligand interactions. Howe...

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Veröffentlicht in:	Cell systems 2023-08, Vol.14 (8), p.692-705.e6
Hauptverfasser:	Li, Shuya, Tian, Tingzhong, Zhang, Ziting, Zou, Ziheng, Zhao, Dan, Zeng, Jianyang
Format:	Artikel
Sprache:	eng
Schlagworte:	binding affinity prediction pocket detection protein structural representation protein-ligand interaction
Online-Zugang:	Volltext
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