Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis
通过 MD 模拟和马尔可夫状态模型分析确定新型 GR 配体与可用于药物的 GR 拮抗剂构象的发现
期刊:Advanced Science
影响因子:
doi:10.1002/advs.202102435
Xueping Hu, Jinping Pang, Jintu Zhang, Chao Shen, Xin Chai, Ercheng Wang, Haiyi Chen, Xuwen Wang, Mojie Duan, Weitao Fu, Lei Xu, Yu Kang, Dan Li, Hongguang Xia, Tingjun Hou