Lei Xu

Identification of Potential WSB1 Inhibitors by AlphaFold Modeling, Virtual Screening, and Molecular Dynamics Simulation Studies

Xiaowu Dong, Chenghao Pan, Yeu-Jye Weng, 2022, Evidence-based complementary and alternative medicine : eCAM.

Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations

Liangxu Xie, Dawei Zhang, Lei Xu, 2022, Molecules.

Developing a Naïve Bayesian Classification Model with PI3Kγ structural features for virtual screening against PI3Kγ: Combining molecular docking and pharmacophore based on multiple PI3Kγ conformations.

Jingyu Zhu, Jian Jin, Yun Chen, 2022, European journal of medicinal chemistry.

Discovery of novel non-nucleoside inhibitors with high potency and selectivity for DNA methyltransferase 3A.

Dan Li, Tingjun Hou, Zhe Wang, 2022, European journal of medicinal chemistry.

Identification of Novel Covalent XPO1 Inhibitors Based on a Hybrid Virtual Screening Strategy

J. Liu, Xiaowu Dong, J. Che, 2022, Molecules.

Virtual Screening and Molecular Dynamics Simulation Study of Influenza Polymerase PB2 Inhibitors

Xingzhou Li, J. Che, Qian Zhang, 2021, Molecules.

ClusterX: a novel representation learning-based deep clustering framework for accurate visual inspection in virtual screening

Xiaowu Dong, J. Che, Jian Gao, 2023, Briefings Bioinform..

Identification of novel influenza polymerase PB2 inhibitors using virtual screening approach and molecular dynamics simulation analysis of active compounds.

Xingzhou Li, Ruiyuan Cao, J. Che, 2021, Bioorganic & medicinal chemistry.