On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches. - Dane Huang; Qiong Gu; Hu Ge; Jiming Ye; Noeris K. Salam; Arnold T. Hagler; Hongzhuan Chen; Jun Xu 017 (J. Chem. Inf. Model., 2012)

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations. - Ling Wang; Qiong Gu; Xuehua Zheng; Jiming Ye; Zhihong Liu; Jiabo Li; Xiaopeng Hu; Arnold T. Hagler; Jun Xu 017 (J. Chem. Inf. Model., 2013)

Predicting DPP-IV inhibitors with machine learning approaches. - Jie Cai; Chanjuan Li; Zhihong Liu; Jiewen Du; Jiming Ye; Qiong Gu; Jun Xu 017 (J. Comput. Aided Mol. Des., 2017)

Perspectives on Supercomputing and Artificial Intelligence Applications in Drug Discovery. - Jun Xu 017; Jiming Ye (Supercomput. Front. Innov., 2020)