Protein language models are performant in structure-free virtual screening

بواسطة Lam, Hilbert Yuen In, Guan, Jia Sheng, Ong, Xing Er, Pincket, Robbe, Mu, Yuguang
منشور في 2024

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

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