Yonghua Shao

Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods

X. Yao, P. Gramatica, Ji-ning Liu, 2014 .

Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis.

Danfeng Shi, Qifeng Bai, Huanxiang Liu, 2014, Physical chemistry chemical physics : PCCP.

Synthesis and quantitative structure-activity relationship (QSAR) study of novel 4-acyloxypodophyllotoxin derivatives modified in the A and C rings as insecticidal agents.

X. Yao, Zhiping Che, Hui Xu, 2013, Journal of agricultural and food chemistry.

Synthesis and quantitative structure-activity relationship (QSAR) study of novel isoxazoline and oxime derivatives of podophyllotoxin as insecticidal agents.

X. Yao, Hui Xu, Xiang Yu, 2012, Journal of agricultural and food chemistry.

Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study.

Qifeng Bai, Huanxiang Liu, X. Yao, 2016, Biochimica et biophysica acta.

Semisynthesis and quantitative structure-activity relationship (QSAR) study of some cholesterol-based hydrazone derivatives as insecticidal agents.

X. Yao, Hui Xu, Xiang Yu, 2013, Bioorganic & medicinal chemistry letters.

Synthesis and quantitative structure-activity relationship (QSAR) study of novel N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives as nematicidal agents.

X. Yao, Zhiping Che, Hui Xu, 2013, Journal of agricultural and food chemistry.

Search for β2 Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations

Yang Zhang, Qifeng Bai, Xiaojun Yao, 2014, PloS one.