Identification of novel inhibitors targeting PI3Kα via ensemble-based virtual screening method, biological evaluation and molecular dynamics simulation. - Hui Zhang; Hua-Zhao Qi; Ya-Juan Li; Xiu-Yun Shi; Mei-Ling Hu; Xiang-Long Chen; Yuan Li (J. Comput. Aided Mol. Des., 2024)

Discovery of novel microtubule destabilizing agents via virtual screening methods and antitumor evaluation. - Sheng Zheng; Xiu-Yun Shi; Xue Su; Zhuo Wang; Hong-Wei Gao; Yu-Chen Wang; Xiang-Long Chen; Wen Zhang; Hui Zhang (Comput. Methods Programs Biomed., 2025)