AI RESEARCH
GDEGAN: Gaussian Dynamic Equivariant Graph Attention Network for Ligand Binding Site Prediction
arXiv CS.LG
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ArXi:2603.19817v1 Announce Type: new Accurate prediction of binding sites of a given protein, to which ligands can bind, is a critical step in structure-based computational drug discovery. Recently, Equivariant Graph Neural Networks (GNNs) have emerged as a powerful paradigm for binding site identification methods due to the large-scale availability of 3D structures of proteins via protein databases and AlphaFold predictions.