Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK. - Yuan-xin Tian; Yonghuan Yu; Yudong Shen; Hua Wan; Shan Chang; Tingting Zhang; Shanhe Wan; Jiajie Zhang (J. Chem. Inf. Model., 2017)

Discovery and Computational Studies of Potent Covalent Kinase Inhibitors with α-Substituent Electrophiles Targeting Cysteine. - Yangcheng Ai; Zichao Yang; Zilong Yang; Shanhe Wan; Chunhui Huang; Chuan Huang; Mingxia Li; Zhonghuang Li; Jiajie Zhang; Tingting Zhang (J. Chem. Inf. Model., 2023)

Mechanism of anti-hyperuricemia of isobavachin based on network pharmacology and molecular docking. - Jia-jun Luo; Xin-hua Chen; Peng-ying Liang; Zean Zhao; Ting Wu; Zhong-huang Li; Shanhe Wan; Jian Luo; Jian-xin Pang; Jia-jie Zhang; Yuan-xin Tian (Comput. Biol. Medicine, 2023)