Selectivity mechanism of GRK2/5 inhibition through in silico investigation. - Yiheng Wu; Shizun Wang; Hanxun Wang; Baichun Hu; Jian Wang 019 (Comput. Biol. Chem., 2022)

Insights into β3-adrenoceptor agonism through comprehensive in silico investigation. - Jiasi Luan; Baichun Hu; Hanxun Wang; Haihan Liu; Shizhun Wang; Lu Chen; Weixia Li; Jian Wang 019; Mao-Sheng Cheng (Comput. Biol. Chem., 2023)

FaissMolLib: An efficient and easy deployable tool for ligand-based virtual screening. - Haihan Liu; Peiying Chen; Baichun Hu; Shizun Wang; Hanxun Wang; Jiasi Luan; Jian Wang 019; Bin Lin; Mao-Sheng Cheng (Comput. Biol. Chem., 2024)

Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets. - Haihan Liu; Baichun Hu; Peiying Chen; Xiao Wang; Hanxun Wang; Shizun Wang; Jian Wang 019; Bin Lin; Mao-Sheng Cheng (J. Chem. Inf. Model., 2024)

Selectivity mechanism of inhibition towards Phosphodiesterase 1B and phosphodiesterase 10A in silico investigation. - Jianheng Li; Pengfei Song; Hanxun Wang; Wenxiong Lian; Jiabo Li; Zhijian Wang; Yaming Zhang; Qingkui Cai; Huali Yang; Maosheng Cheng (Comput. Biol. Chem., 2025)