ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking

Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery. However, traditional docking methods mainly rely on scoring functions, and deep learning-based docking approaches usually neglect the 3D spatial information of proteins and ligands, as well as t...

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Hauptverfasser:	Yi, Yiqiang, Wan, Xu, Bian, Yatao, Ou-Yang, Le, Zhao, Peilin
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Learning Quantitative Biology - Biomolecules
Online-Zugang:	Volltext bestellen
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