OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity based on Residue-Atom Contacting Shells

Zechen Wang, Liangzhen Zheng, Yang Liu +5

One key task in virtual screening is to accurately predict the binding affinity ($△$$G$) of protein-ligand complexes. Recently, deep learning (DL) has significantly increas…