Jian Wang

发表

Design, synthesis and biological evaluation of highly potent and selective CYP1B1 inhibitors

M. Cheng, Fengjiao Zhang, Jianping Mao, 2023, New Journal of Chemistry.

Insights into β3-adrenoceptor agonism through comprehensive in silico investigation

Han-xun Wang, Baichun Hu, M. Cheng, 2023, Comput. Biol. Chem..

Structural requirement of RARγ agonism through computational aspects

Yinli Gao, Han-xun Wang, Baichun Hu, 2023, Journal of Molecular Modeling.

Computational characteristics of the structure-activity relationship of inhibitors targeting Pks13-TE domain

Lu Chen, Weixia Li, Jian Wang, 2023, Comput. Biol. Chem..

Selectivity mechanism of BCL-XL/2 inhibition through in silico investigation.

Baichun Hu, JiYue Shi, Xizhe Sun, 2022, Physical chemistry chemical physics : PCCP.

Selectivity mechanism of GRK2/5 inhibition through in silico investigation

Baichun Hu, Han-min Wang, Yiheng Wu, 2022, Comput. Biol. Chem..

Insights into the selective mechanism of PDE2/9a inhibitors from silico aspects.

Han-xun Wang, Baichun Hu, Jian Wang, 2024, Journal of biomolecular structure & dynamics.

Design, Synthesis, Pharmacological Evaluation, and computational study of benzo[d] isothiazol-based small molecule inhibitors targeting PD-1/PD-L1 interaction.

Yinli Gao, Huali Yang, Jian Wang, 2024, European Journal of Medicinal Chemistry.

Structural simulation and selective inhibitor discovery study for histone demethylases KDM4E/6B from a computational perspective.

Baichun Hu, Yi Yang, Jian Wang, 2024, Computational biology and chemistry.

Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets

Han-xun Wang, Baichun Hu, Jian Wang, 2024, J. Chem. Inf. Model..