A selectivity study of benzenesulfonamide derivatives on human carbonic anhydrase II/IX by 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation. - Yuxuan Wang; Haiqiong Guo; Guanghui Tang; Qingxiu He; Yuping Zhang; Yong Hu; Yuanqiang Wang; Zhihua Lin (Comput. Biol. Chem., 2019)

In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation. - Qingxiu He; Chu Han; Guangping Li 006; Haiqiong Guo; Yuxuan Wang; Yong Hu; Zhihua Lin; Yuanqiang Wang (Comput. Biol. Chem., 2020)