Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approach. - Junning Chen; Hailun Jiang; Fangfei Li; Baichun Hu; Ying Wang 100; Mingxing Wang; Jian Wang 019; Mao-Sheng Cheng (Comput. Biol. Chem., 2018)

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. - Mingxing Wang; Ying Wang 100; Dejiang Kong; Hailun Jiang; Jian Wang 019; Mao-Sheng Cheng (Comput. Biol. Chem., 2018)

Molecular determinants for ligand binding at Nav1.4 and Nav1.7 channels: Experimental affinity results analyzed by molecular modeling. - Dejiang Kong; Ying Wang 100; Han-xun Wang; Mingxing Wang; Jian Wang 019; Mao-Sheng Cheng (Comput. Biol. Chem., 2019)

In Silico Exploration of the Molecular Mechanism of Cassane Diterpenoids on Anti-inflammatory and Immunomodulatory Activity. - Ying Wang 100; Baichun Hu; Yusheng Peng; Xin Xiong; Wenhua Jing; Jian Wang 019; Huiyuan Gao (J. Chem. Inf. Model., 2019)

Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation. - Zhe Jin 002; Ying Wang 100; Xiao-Fei Yu; Qi-Qi Tan; Shi-Shao Liang; Tai Li; Hong Zhang; Pang-Chui Shaw; Jian Wang 019; Chun Hu (Comput. Biol. Chem., 2020)

Target recognition and network pharmacology for revealing anti-diabetes mechanisms of natural product. - Ying Wang 100; Baichun Hu; Shasha Feng; Jian Wang 019; Fengjiao Zhang (J. Comput. Sci., 2020)

Stable H-bond networks are crucial for selective CDK4 inhibition revealed from comprehensive in silico investigation. - Zhigang Zhang; Baichun Hu; Johnson Joseph; Ying Wang 100; Jianping Mao; Haoyu Zhang; Qi Ma; Yaoliang Zhang; Jian Wang 019 (Comput. Biol. Chem., 2022)

Stepwise Strategy to Identify Thrombin as a Hydrolytic Substrate for Nattokinase. - Ying Wang 100; Huan Wang; Yupeng Zhang; Feng Xu; Jian Wang 019; Fengjiao Zhang (J. Chem. Inf. Model., 2022)