Sujun Qu

Subangstrom Accuracy in pHLA-I Modeling by Rosetta FlexPepDock Refinement Protocol

Tengfei Liu, Xianchao Pan, Chao Li et al. · Journal of Chemical Information and Modeling · 2014 · 37 citations

Engineering, Measurement, Peptide Engineering +21

Constructing Interconsistent, Reasonable, and Predictive Models for Both the Kinetic and Thermodynamic Properties of HIV-1 Protease Inhibitors

Sujun Qu, Shuheng Huang, Xianchao Pan et al. · Journal of Chemical Information and Modeling · 2016 · 27 citations

Prediction and characterization of P-glycoprotein substrates potentially bound to different sites by emerging chemical pattern and hierarchical cluster analysis

Xianchao Pan, Mei Hu, Sujun Qu et al. · International Journal of Pharmaceutics · 2016 · 18 citations

P-glycoprotein Substrates, Molecular Characterization, Biochemistry +14

SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV-1 Protease Inhibitors

Shuheng Huang, Duo Zhang, Mei Hu et al. · Journal of Chemical Information and Modeling · 2018 · 16 citations

An improved large-scale prediction model of CYP1A2 inhibitors by using combined fragment descriptors

Xianchao Pan, Chao Li, Sujun Qu et al. · RSC Advances · 2015 · 10 citations