no code implementations • 12 Oct 2023 • Yiqiang Yi, Xu Wan, Yatao Bian, Le Ou-Yang, Peilin Zhao
Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery.
no code implementations • 27 Oct 2022 • Yiqiang Yi, Xu Wan, Kangfei Zhao, Le Ou-Yang, Peilin Zhao
The proposed ELGN firstly adds a super node to the 3D complex, and then builds a line graph based on the 3D complex.