Close
EN 中文 PT
Search
Go To Macao Polytechnic University

劉煥香 Liu Huanxiang

Liu Huanxiang

Professor

Tel: (853) 8599 6874
Email: hxliu@mpu.edu.mo
Scopus | ResearchGate

 Biography

Dr. Huanxiang Liu is currently a professor in the Faculty of Applied Sciences of the Macao Polytechnic University. Her research fields mainly include the methodology development of drug design based on artificial intelligence, molecular simulation of structure and function of protein, target-based drug design and discovery. Until now, she has published more than 230 SCI papers in the related fields, which have been cited more than 5000 times. Her H-index is 39.

 Education and Experiences

Educational background
2001-2005: Ph.D. degree at Department of Chemistry, Lanzhou University, Major in Analytical Chemistry
1997-2001: B.Sc. degree at Department of Applied Chemistry, Qingdao University of Science & Technology, Major in Industrial Analysis

Working experiences
2021-present: Professor, Faculty of Applied Sciences, Macao Polytechnic University
2008-2021: Professor of Medicinal Chemistry, School of Pharmacy. Lanzhou University
2007-2008: Postdoctoral Fellow, School of Chemical Biology & Biotechnology, Shenzhen Graduate School of Peking University
2007-2007: Research Associate, Department of Chemistry, Hongkong University of Science & Technology
2006-2007: Postdoctoral Fellow, Department of Theoretical & Applied Sciences, University of Insubria, Italy

 Research Interests

  • The methodology development of drug design based on artificial intelligence
  • Molecular simulations of structure and function of biomacromolecules
  • Drug discovery for some important targets

 Selected Publications

  1. Tian, Y.; Wang, X.; Liu, H.*; Yang,Y. Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Brief Bioinform. 2022, bbac534. https://doi.org/10.1093/bib/bbac534.
  2. Liu, H.; Zhou, Y.; Song, Y.; Zhang, Q.; Kan, Y.; Tang, X.; Xiao, Q.; Xiang, Q.; Liu, H.*; Luo, Y. *; Bao, R. * Structural and Dynamics Studies of the Spcas9 Variant Provide Insights into the Regulatory Role of the REC1 Domain. ACS Catal. 2022, 12, 8687−8697.
  3. Yang, Y.; Wu, Z.; Yao, X.; Kang, Y.; Hou, T.; Hsieh, C.Y.; Liu, H.* Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. J. Chem. Inf. Model. 2022, 62, 13, 3191–3199.
  4. Zhou, P.;  Feng, F.;  Song, Y.;  Li, J.;  Li, Q.;  Xu, Z.;  Shi, J.;  Qin, L.;  He, F.;  Li, H.;  Han, Y.;  Zhang, R. *;  Liu, H.*; Lan, F. *, Novel RGD-containing peptides exhibited improved abilities to integrin receptor binding and cultures of human induced pluripotent stem cells. Mater. Des. 2022, 219,110762.
  5. Tan S, Gong X, Liu H*, Yao X*. Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain. ACS Chem Neurosci. 2021,12(17):3214-3224.
  6. Wang, Z.; Pan, H.; Sun, H.; Kang, Y.; Liu, H.; Cao, D.; Hou, T. fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Brief Bioinform.2022, bbac201. （doi: https://doi.org/10.1093/bib/bbac201）
  7. Li, Y.; Hsieh, C.Y.; Lu, R.; Gong, X.; Wang, X.; Li, P.; Liu, S.; Tian, Y.; Jiang, D.; Yan, J.; Bai, Q.; Liu, H.; Zhang, S.; Yao, X. An adaptive graph learning method for automated molecular interactions and properties predictions. Nat. Mach. Intell. 2022, 4(7):1-7.
  8. Zhang, Q.; Zhao, N.; Meng, X.; Yu, F.; Yao, X.; Liu, H.* The prediction of protein–ligand unbinding for modern drug discovery. Expert. Opin. Drug Discov. 2022, 17 (2), 191-205.
  9. Tan, S.; Zhang, Q.; Wang, J.; Gao, P.; Xie, G.; Liu, H.*; Yao, X., Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling. ACS Chem Neurosci.  2022, 13 (5), 599-612.
  10. Han JT, Zhu Y, Pan DB, Xue HX, Wang S., Peng Y, Liu H*, He YX*, Yao X*. Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J. 2021, 19:4079-4091.
  11. An X, Bai Q, Bing Z, Liu H*, Yao X*. Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations. Comput Struct Biotechnol J. 2021, 19:3978-3989.
  12. Liu H, Li Q, Xiong C, Zhong H, Zhang Q, Liu H*, Yao X. Uncovering the Effect of pS202/pT205/pS208 Triple Phosphorylations on the Conformational Features of the Key Fragment G192-T212 of Tau Protein. ACS Chem Neurosci. 2021, 12(6):1039-1048.
  13. Wang X, Li Y, Qiu J, Chen G, Liu H, Liao B, Hsieh CY, Yao X. RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions. Chem. Eng. J., 2021, 420,129845.
  14. Wang F, Ye W, Wang S, He Y, Zhong H, Wang Y, Zhu Y, Han J, Bing Z, Ji S, Liu H*, Yao X*. Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy. Neoplasia. 2021 , 23(3):281-293.
  15. Bai Q, Tan S, Xu T, Liu H, Huang J, Yao X. MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. Brief Bioinform. 2021, 22 :bbaa161. (doi: 10.1093/bib/bbaa161.)
  16. Zhang Q, Tan S, Xiao T, Liu H, Shah SJA, Liu H*. Probing the Molecular Mechanism of Rifampicin Resistance Caused by the Point Mutation S456L and D441V on Mtb-RNAP through Gaussian Accelerated Molecular Dynamics Simulation. Antimicrob. Agents Chemother. 2020, 64(7), e02476-19.
  17. Xu Z, Liu H, Wang S, Zhang Q, Yao X, Zhou S, Liu H*. Unraveling the Molecular Mechanism of Prion H2 C-Terminus Misfolding by Metadynamics Simulations. ACS Chem Neurosci. 2020, 11(5):772-782.
  18. An X, Bai Q, Bing Z, Liu H, Zhang Q, Liu H*, Yao X. Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations.  ACS Chem Neurosci. 2020, 11(4):628-637.
  19. Zhu, Y; Guo, J; Zhang, A; Li, L; Liu, X; Liu, H*; Yao, XJ. How Graphene Affects the Misfolding of Human Prion Protein: A Combined Experimental and Molecular Dynamics Simulation Study. Environ. Res. 2019, 171:1-10.
  20. Zhou, S; Zhu, Y; Yao, X; Liu, H*. Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations. J. Chem. Inf. Model. 2019,59:1909-1918.
  21. An, X; Lu, S; Song, K; Shen, Q; Huang, M; Yao, X; Liu, H*; Zhang, J*. Are the Apo Proteins Structure Function and bioinformation Suitable for the Rational Discovery of Allosteric Drugs? J. Chem. Inf. Model. 2019, 59:597-604.
Read more (scopus)
Top Top