Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening. - Lili Xu; Shanglin Zhou; Kunqian Yu; Bo Gao; Hualiang Jiang; Xuechu Zhen; Wei Fu (J. Chem. Inf. Model., 2013)

Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility. - Sheng Tian; Huiyong Sun; Peichen Pan; Dan Li 013; Xuechu Zhen; Youyong Li; Tingjun Hou (J. Chem. Inf. Model., 2014)

Higher-Affinity Agonists of 5-HT1AR Discovered through Tuning the Binding-Site Flexibility. - Peng Lian; LinLang Li; Chuanrong Geng; Xuechu Zhen; Wei Fu (J. Chem. Inf. Model., 2015)

Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors. - Yu Zhang; Lei Xu 035; Zhiqiang Zhang; Zhiyu Zhang; Longtai Zheng; Dan Li 013; Youyong Li; Feng Liu; Kunqian Yu; Tingjun Hou; Xuechu Zhen (J. Chem. Inf. Model., 2015)

Discovery of Novel and Selective Adenosine A2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening. - Sheng Tian; Xu Wang; Linlang Li; Xiaohu Zhang; Youyong Li; Feng Zhu 004; Tingjun Hou; Xuechu Zhen (J. Chem. Inf. Model., 2017)