Identification of potential ATP-competitive cyclin-dependent kinase 1 inhibitors: De novo drug generation, molecular docking, and molecular dynamics simulation

Autor: He, Fengming, Wang, Xiumei, Wu, Qiaoqiong, Liu, Shunzhi, Cao, Yin, Guo, Xiaodan, Yin, Sihang, Yin, Na, Li, Baicun, Fang, Meijuan
Zdroj: In Computers in Biology and Medicine March 2023 155
Databáze: ScienceDirect