Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling

  title={Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling},
  author={Yang Zhang and G Zhou and Zhewei Wei and Hongteng Xu},
—The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of molecules and the local interactions while ignoring the multi- level inter-molecular interactions between proteins and ligands, which often lead to sub-optimal performance. To solve this issue, we propose a novel global-local interaction (GLI) framework to… 

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