Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1. - Yaping Li; Jiale Peng; Yeheng Zhou; Penghua Li; Yingying Li; Xingyong Liu; Abu Nasar Siddique; Li Zhang; Zhili Zuo (Comput. Biol. Chem., 2018)

Discovery of novel indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors by virtual screening. - Yeheng Zhou; Jiale Peng; Penghua Li; Haibo Du; Yaping Li; Yingying Li; Li Zhang; Wei Sun; Xingyong Liu; Zhili Zuo (Comput. Biol. Chem., 2019)