Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations.

by Yuzhen Niu, Dabo Pan, Danfeng Shi, Qifeng Bai, Huanxiang Liu, Xiaojun Yao
Published 2015-01-01

Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation

by Xiaoli An, Qifeng Bai, Fang Bai, Danfeng Shi, Huanxiang Liu, Xiaojun Yao, Xiaojun Yao
Published 2019-06-01

Investigate the mechanisms of Chinese medicine Fuzhengkangai towards EGFR mutation-positive lung adenocarcinomas by network pharmacology

by Zhitong Bing, Zhiyuan Cheng, Danfeng Shi, Xinkui Liu, Jinhui Tian, Xiaojun Yao, Jingyun Zhang, Yongfeng Wang, Kehu Yang
Published 2018-11-01

Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship

by Danfeng Shi, Xiaoli An, Qifeng Bai, Zhitong Bing, Zhitong Bing, Shuangyan Zhou, Shuangyan Zhou, Huanxiang Liu, Xiaojun Yao, Xiaojun Yao
Published 2019-11-01

Design, synthesis, and biological evaluation of quinazolin-4(3H)-one derivatives co-targeting poly(ADP-ribose) polymerase-1 and bromodomain containing protein 4 for breast cancer t...

by Xiaosa Chang, Dejuan Sun, Danfeng Shi, Guan Wang, Yanmei Chen, Kai Zhang, Huidan Tan, Jie Liu, Bo Liu, Liang Ouyang
Published 2021-01-01