Jian Wang

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 18

Top Topics

Molecular Dynamics

Target Recognition

Top Venues

Comput. Biol. Chem.

J. Chem. Inf. Model.

Comput. Math. Methods Medicine

J. Comput. Sci.

Publications

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 (2024)
Jiasi Luan, Baichun Hu, Hanxun Wang, Haihan Liu, Shizhun Wang, Lu Chen, Weixia Li, Jian Wang, Mao-Sheng Cheng
investigation. Comput. Biol. Chem. 104 (2023)
Shizun Wang, Jiasi Luan, Lu Chen, Haihan Liu, Weixia Li, Jian Wang
Computational characteristics of the structure-activity relationship of inhibitors targeting Pks13-TE domain. Comput. Biol. Chem. 104 (2023)
Jie Gao, Yaoliang Zhang, Lin Yu, Yuejuan Li, Shumin Liao, Jian Wang, Lijie Guan
: Integrated Proteomic and Molecular Dynamics Simulation. J. Chem. Inf. Model. 63 (2) (2023)
Zhigang Zhang, Baichun Hu, Johnson Joseph, Ying Wang, Jianping Mao, Haoyu Zhang, Qi Ma, Yaoliang Zhang, Jian Wang
investigation. Comput. Biol. Chem. 99 (2022)
Ying Wang, Huan Wang, Yupeng Zhang, Feng Xu, Jian Wang, Fengjiao Zhang
Stepwise Strategy to Identify Thrombin as a Hydrolytic Substrate for Nattokinase. J. Chem. Inf. Model. 62 (22) (2022)
Yiheng Wu, Shizun Wang, Hanxun Wang, Baichun Hu, Jian Wang
investigation. Comput. Biol. Chem. 101 (2022)
Zhe Jin, Ying Wang, Xiao-Fei Yu, Qi-Qi Tan, Shi-Shao Liang, Tai Li, Hong Zhang, Pang-Chui Shaw, Jian Wang, Chun Hu
Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation. Comput. Biol. Chem. 85 (2020)
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 (2020)
Yuzhou Huang, Han-xun Wang, Huibin Wang, Rui Wen, Xiaohui Geng, Tianci Huang, JiYue Shi, Xiujun Wang, Jian Wang
Structure-based virtual screening of natural products as potential stearoyl-coenzyme a desaturase 1 (SCD1) inhibitors. Comput. Biol. Chem. 86 (2020)
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 (2020)
Dejiang Kong, Ying Wang, Han-xun Wang, Mingxing Wang, Jian Wang, Mao-Sheng Cheng
Molecular determinants for ligand binding at Nav1.4 and Nav1.7 channels: Experimental affinity results analyzed by molecular modeling. Comput. Biol. Chem. 83 (2019)
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) (2019)
Xiangyu Zhang, Jianping Mao, Wei Li, Kazuo Koike, Jian Wang
Improved 3D-QSAR prediction by multiple-conformational alignment: A case study on PTP1B inhibitors. Comput. Biol. Chem. 83 (2019)
Mingxing Wang, Ying Wang, Dejiang Kong, Hailun Jiang, Jian Wang, Mao-Sheng Cheng
In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations. Comput. Biol. Chem. 77 (2018)
Wei Li, Xue Liu, Muhammad R. Suleiman, JiYue Shi, YanQiu Meng, Jian Wang
Computational investigation of TGF-β receptor inhibitors for treatment of idiopathic pulmonary fibrosis: Field-based QSAR model and molecular dynamics simulation. Comput. Biol. Chem. 76 (2018)
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 (2018)
Xiangyu Zhang, Hailun Jiang, Wei Li, Jian Wang, Mao-Sheng Cheng
Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach. Comput. Math. Methods Medicine 2017 (2017)
Rui-Juan Li, Ya-Li Wang, Qing-He Wang, Jian Wang, Mao-Sheng Cheng
In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches. Comput. Math. Methods Medicine 2015 (2015)