A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility. - Bowen Tang; Skyler T. Kramer; Meijuan Fang; Yingkun Qiu; Zhen Wu; Dong Xu 002 (J. Cheminformatics, 2020)

Identification of potential ATP-competitive cyclin-dependent kinase 1 inhibitors: De novo drug generation, molecular docking, and molecular dynamics simulation. - Fengming He; Xiumei Wang; Qiaoqiong Wu; Shunzhi Liu; Yin Cao; Xiaodan Guo; Sihang Yin; Na Yin; Baicun Li; Meijuan Fang (Comput. Biol. Medicine, 2023)