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2020 – today
- 2024
[j10]Haihan Liu, Peiying Chen, Baichun Hu, Shizun Wang, Hanxun Wang, Jiasi Luan, Jian Wang
, Bin Lin, Mao-Sheng Cheng:
FaissMolLib: An efficient and easy deployable tool for ligand-based virtual screening. Comput. Biol. Chem. 110: 108057 (2024)- [j9]Chenxiao Wang, Baichun Hu, Yi Yang, Yihan Wang, Juyue Qin, Xiaolian Wen, Yikuan Li, Hui Li, Yutong Wang, Jian Wang, Yang Liu:
Structural simulation and selective inhibitor discovery study for histone demethylases KDM4E/6B from a computational perspective. Comput. Biol. Chem. 110: 108072 (2024) - [j8]Haihan Liu, Baichun Hu, Peiying Chen, Xiao Wang, Hanxun Wang, Shizun Wang, Jian Wang, Bin Lin, Mao-Sheng Cheng:
Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets. J. Chem. Inf. Model. 64(14): 5413-5426 (2024) - 2023
- [j7]Jiasi Luan, Baichun Hu, Hanxun Wang, Haihan Liu, Shizhun Wang, Lu Chen, Weixia Li, Jian Wang, Mao-Sheng Cheng:
Insights into β3-adrenoceptor agonism through comprehensive in silico investigation. Comput. Biol. Chem. 104: 107836 (2023) - 2022
- [j6]Zhigang Zhang, Baichun Hu, Johnson Joseph, Ying Wang, Jianping Mao, Haoyu Zhang, Qi Ma, Yaoliang Zhang, Jian Wang:
Stable H-bond networks are crucial for selective CDK4 inhibition revealed from comprehensive in silico investigation. Comput. Biol. Chem. 99: 107699 (2022) - [j5]Yiheng Wu, Shizun Wang, Hanxun Wang, Baichun Hu, Jian Wang:
Selectivity mechanism of GRK2/5 inhibition through in silico investigation. Comput. Biol. Chem. 101: 107786 (2022) - 2020
- [j4]Baichun Hu, Johnson Joseph, Xiaohui Geng, Yiheng Wu, Muhammad R. Suleiman, Xinyue Liu, JiYue Shi, Xiujun Wang, Zhicheng He, Jian Wang, Mao-Sheng Cheng:
Refined pharmacophore features for virtual screening of human thromboxane A2 receptor antagonists. Comput. Biol. Chem. 86: 107249 (2020) - [j3]Ying Wang, Baichun Hu, Shasha Feng, Jian Wang, Fengjiao Zhang:
Target recognition and network pharmacology for revealing anti-diabetes mechanisms of natural product. J. Comput. Sci. 45: 101186 (2020)
2010 – 2019
- 2019
- [j2]Ying Wang, Baichun Hu, Yusheng Peng, Xin Xiong, Wenhua Jing, Jian Wang, Huiyuan Gao:
In Silico Exploration of the Molecular Mechanism of Cassane Diterpenoids on Anti-inflammatory and Immunomodulatory Activity. J. Chem. Inf. Model. 59(5): 2309-2323 (2019) - 2018
- [j1]Junning Chen, Hailun Jiang, Fangfei Li, Baichun Hu, Ying Wang, Mingxing Wang, Jian Wang, Mao-Sheng Cheng:
Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approach. Comput. Biol. Chem. 77: 261-271 (2018)
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