Weiliang Zhu

Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography

Pharit Kamsri, Chayanin Hanwarinroj, Naruedon Phusi, 2019, J. Chem. Inf. Model..

Accurate prediction of relative binding affinities of a series of HIV‐1 protease inhibitors using semi‐empirical quantum mechanical charge

Weiliang Zhu, Cheng Peng, Zhijian Xu, 2020, J. Comput. Chem..

Molecular docking for drug discovery and development: a widely used approach but far from perfect.

Weiliang Zhu, Guimin Wang, Weiliang Zhu, 2016, Future medicinal chemistry.

Interaction Nature and Computational Methods for Halogen Bonding: A Perspective

Weiliang Zhu, Zhijian Xu, Zhengdan Zhu, 2020, J. Chem. Inf. Model..

Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study

Jiye Shi, Weiliang Zhu, Zhijian Xu, 2019, ACS omega.

Nelfinavir was predicted to be a potential inhibitor of 2019-nCov main protease by an integrative approach combining homology modelling, molecular docking and binding free energy calculation

Weiliang Zhu, Zhijian Xu, Kaijie Mu, 2020, bioRxiv.