Professor Huanxiang Liu has been consistently ranked among the top 2% of global scientists (Stanford-Elsevier list) for five consecutive years, specializing in AI-driven drug discovery, computer-aided drug design (CADD), the development of therapeutics targeting critical disease-related proteins. Her research integrates artificial intelligence, molecular dynamics simulations, and experimental biochemistry to elucidate structure-function relationships in key drug targets, enabling rational, target-based drug discovery.

With a prolific publication record, Prof. Liu has authored over 290 SCI-indexed papers in high-impact journals, including Cell, Advanced Science, Nature Machine Intelligence, Nature Communications. Her work has garnered more than 7,000 citations in leading journals such as Chemical Reviews, PNAS, and Angewandte Chemie, and has been cited in 10+ international monographs, reflecting an H-index of 44. She holds multiple invention patents and a software copyright, underscoring her translational impact.

 As a principal investigator, Prof. Liu has secured competitive grants, including four completed projects funded by the National Natural Science Foundation of China (NSFC) and 10+ provincial/ministerial/cross-disciplinary initiatives. Currently, she leads a Macao Science and Technology Foundation (FDCT) project and an FDCT-NSFC joint project.

  • Current Employer/Organization
    Macao Polytechnic University

  • Education

    2001 - 2015   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

  • 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

  • Work Experience

    2022-present   Professor of Faculty of Applied Sciences, Programme Coordinator of PhD in Artificial Intelligence driven Drug Discovery, 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

  • Publications

    Scopus hyperlink：https://www.scopus.com/authid/detail.uri?authorId=8637206300

    Researchgate hyperlink: https://www.researchgate.net/profile/Huanxiang-Liu