Search for β(2) Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations

Por Bai, Qifeng, Shao, Yonghua, Pan, Dabo, Zhang, Yang, Liu, Huanxiang, Yao, Xiaojun
Publicado em 2014

Effects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulatio...

Por Ning, Lulu, Pan, Dabo, Zhang, Yan, Wang, Shaopeng, Liu, Huanxiang, Yao, Xiaojun
Publicado no PLoS One (2015)

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

Por Niu, Yuzhen, Pan, Dabo, Shi, Danfeng, Bai, Qifeng, Liu, Huanxiang, Yao, Xiaojun
Publicado no PLoS One (2015)