Xiaohui Geng

Structural basis for tailor-made selective PI3K α/β inhibitors: a computational perspective

Rui Wen, Jian Wang, Han-xun Wang, 2021 .

Computational insights into the binding pattern of mitochondrial calcium uniporter inhibitor through homology modeling, molecular dynamics simulation, binding free energy prediction and density functional theory calculation

W. Li, Baichun Hu, T. Ye, 2019, Journal of biomolecular structure & dynamics.

Structure-based virtual screening of natural products as potential stearoyl-coenzyme a desaturase 1 (SCD1) inhibitors

Tianci Huang, Yuzhou Huang, Jian Wang, 2020, Comput. Biol. Chem..

Refined pharmacophore features for virtual screening of human thromboxane A2 receptor antagonists

Xinyue Liu, Yiheng Wu, Baichun Hu, 2020, Comput. Biol. Chem..

In silico strategy for isoform-selective 5-HT2AR and 5-HT2CR inhibitors

Jian Wang, Huibin Wang, Ying Wang, 2021 .