OnionNet-2: a convolutional neural network model for predicting protein-ligand binding affinity based on residue-atom contacting shells

by Wang, Zechen, Zheng, Liangzhen, Liu, Yang, Qu, Yuanyuan, Li, Yong-Qiang, Zhao, Mingwen, Mu, Yuguang, Li, Weifeng
Published 2022

Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design

by Lam, Hilbert Yuen In, Pincket, Robbe, Han, Hao, Ong, Xing Er, Wang, Zechen, Hinks, Jamie, Wei, Yanjie, Li, Weifeng, Zheng, Liangzhen, Mu, Yuguang
Published 2023