Identification of potential ATP-competitive cyclin-dependent kinase 1 inhibitors: De novo drug generation, molecular docking, and molecular dynamics simulation. - Fengming He; Xiumei Wang; Qiaoqiong Wu; Shunzhi Liu; Yin Cao; Xiaodan Guo; Sihang Yin; Na Yin; Baicun Li; Meijuan Fang (Comput. Biol. Medicine, 2023)