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Guixia Liu

PhD Advisor

Shanghai Rising-Star

School of Pharmacy

Contact

Office Location:

Email： gxliu@ecust.edu.cn

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Resume


EDUCATIONAL BACKGROUND

09/1997-07/2002

Ph.D. in Computational Chemistry, Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun, China 

09/1993-07/1997

B.S. in Chemical Education, Department of Chemistry, Liaoning Normal University, Dalian, China

 


WORKING EXPERIENCE

09/2004-Present

Associate Professor and Professor in the Laboratory of Molecular Modeling & Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, China

09/2013-09/2014

Visiting Scholar in Translational Informatics Division (with Prof. Tudor Oprea), University of New Mexico School of Medicine, USA  

07/2002-08/2004

Postdoctoral fellow in the Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, CAS, Shanghai, China



Research

  • Computer-Aided Drug Design

  • Drug Informatics

  • Computational Biology


Publications

1.  Yimeng Wang, Xinxin Yu, Yaxin Gu, Weihua Li, Keyun Zhu, Long Chen, Yun Tang*, Guixia Liu*. XGraphCDS: An explainable deep learning model for predicting drug sensitivity from gene pathways and chemical structures. Comput. Biol. Med., 2024, 168, 107746.

2.   Yimeng Wang, Mengting Huang, Hua Deng, Weihua Li, Zengrui Wu, Yun Tang*, Guixia Liu*. Identification of vital chemical information via visualization of graph neural networks. Brief. Bioinform., 2023, 24(1), 1-12.

3.   Dan Teng, Yang Zhou, Yun Tang, Guixia Liu*, Yaoquan Tu*. Mechanistic studies on the stereoselectivity of FFAR1 modulators. J. Chem. Inf. Model., 2022, 62(15), 3664-3675.

4.   Mengting Huang, Chaofeng Lou, Zengrui Wu, Weihua Li, Philip W. Lee, Yun Tang*, Guixia Liu*. In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network. J. Cheminformatics, 2022, 14(1), 46.

5.   Yimeng Wang, Yaxin Gu, Chaofeng Lou, Yuning Gong, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*. A multitask GNN-based interpretable model for discovery of selective JAK inhibitors. J. Cheminformatics, 2022, 14(1), 16.

6.   Dongping Li#, Kexin Jiang#, Dan Teng, Zengrui Wu, Weihua Li, Yun Tang*, Rui Wang*,Guixia Liu*. Discovery of new estrogen-related receptor α agonists via a combination strategy based on shape screening and ensemble docking. J. Chem. Inf. Model., 2022, 62(3), 486-497.

7.   Jianhui Chen, Dan Teng, Zengrui Wu, Weihua Li, Yuqian Feng, Yun Tang*, Guixia Liu*. Insights into the molecular mechanisms of Liuwei Dihuang decoction via network pharmacology. Chem. Res. Toxicol., 2021, 34(1): 91-102.

8.   Jianhui Chen, Hongbin Yang, Lan Zhu, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*. In silico prediction of human renal clearance of compounds using quantitative structure-pharmacokinetic relationship models. Chem. Res. Toxicol., 2020, 33, 640-650.

9.   Peiwen Di, Jianhui Chen, Liping Liu, Weihua Li, Yun Tang*, Guixia Liu*. In silico prediction of binding capacity and interaction forces of organic compounds with alpha- and beta-cyclodextrins. J. Mol. Liq., 2020, 302, 112585.

10.  Dan Teng, Jianhui Chen, Dongping Li, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*. Computational insights into molecular activation and positive cooperative mechanisms of FFAR1 modulators. J. Chem. Inf. Model., 2020, 60, 3214-3230.