Jinhua Advanced Research Institute, China
👨🎓Profiles
🏫 Early Academic Pursuits
Qiu Yue (Sean) began his academic journey with a Bachelor’s degree in Traditional Chinese Medicine from Shandong University of Traditional Chinese Medicine. His passion for integrating modern scientific techniques with traditional medicine led him to pursue a Master’s degree in Modern Methods of Drug Discovery and Development at Shanghai University of Traditional Chinese Medicine. This foundation in both traditional and modern approaches to medicine set the stage for his future research. Furthering his expertise, he obtained a Ph.D. in Computer-Aided and Artificial Intelligence Drug Design from Macau University of Science and Technology. His doctoral research, conducted at Dr. Neher’s Biophysics Laboratory for Innovative Drug Discovery, focused on using molecular simulations, machine learning, and computational biology to discover and design inhibitors targeting SARS-CoV-2 papain-like protease (PLpro).
🏢 Professional Endeavors
Currently, Dr. Qiu Yue serves as an Assistant Professor at the Institute of Traditional Chinese Medicine Rehabilitation, Jinhua Advanced Research Institute in China. His role spans interdisciplinary fields, integrating natural medicine, computer-aided drug design, biochemistry, molecular biology, and analytical chemistry. Throughout his career, he has combined pharmacology, artificial intelligence, and computational drug design to advance pharmaceutical sciences. His expertise extends to high-throughput virtual screening, molecular docking, pharmacophore mapping, quantum chemical calculations, and ADMET profiling, enabling groundbreaking research in drug discovery.
🔬 Contributions and Research Focus
Dr. Qiu Yue has significantly contributed to drug discovery and computational biology, with a major focus on SARS-CoV-2 research. His work has involved: Identifying cryptic active sites of SARS-CoV-2 papain-like protease (PLpro). Developing inhibitors using molecular dynamics simulations and machine learning models. Bridging traditional Chinese medicine with modern pharmaceutical sciences by integrating computational approaches to study herbal compounds. Beyond virology, his research encompasses molecular docking, virtual screening, QSAR modeling, and pharmacological analysis, aiding in the discovery of new drug candidates for various diseases.
🌍 Impact and Influence
Dr. Qiu Yue’s research has made a global impact, particularly in the field of computational drug design. His work on SARS-CoV-2 inhibitors has been widely recognized, aiding the fight against the pandemic. His ability to integrate AI-driven drug discovery with biological and chemical sciences has set a new benchmark for interdisciplinary research.
📚 Academic Cites
With an increasing number of citations, Dr. Qiu Yue’s publications in molecular simulations, artificial intelligence in drug discovery, and pharmacological modeling continue to gain traction. His collaborations with leading research institutes and universities have further cemented his reputation in computational and pharmaceutical sciences.
💻 Technical Skills
Dr. Qiu Yue is proficient in various drug discovery techniques and computational tools, including:
- Software & Tools: Schrödinger Maestro, UCSF Chimera, Pymol, AutoDock Vina, GROMACS, AMBER, PLUMED, Rosetta, BIOVIA Pipeline Pilot, Discovery Studio.
- Programming Languages: Python, R, Perl, HTML, PHP, JavaScript, C++.
- Scientific Data Retrieval: UniProt, ExPASy, BLAST, Protein Data Bank (PDB).
- Operating Systems: Mac, Linux, Windows.
🎓 Teaching Experience
As an Assistant Professor, Dr. Qiu Yue has been actively involved in mentoring students and researchers in the fields of: Computer-aided drug design, Machine learning applications in pharmaceutical sciences, Traditional Chinese medicine and pharmacology, Bioinformatics and molecular modeling, His interdisciplinary teaching approach enables students to merge AI techniques with classical pharmacology, preparing them for the future of AI-driven drug discovery.
🔮 Legacy and Future Contributions
Dr. Qiu Yue is shaping the next generation of computational drug discovery by pioneering AI-integrated pharmaceutical research. His ongoing research aims to: Further optimize AI and molecular simulation models for drug discovery. Enhance machine learning techniques to predict drug efficacy and toxicity. Explore new pharmacological applications of Traditional Chinese Medicine. With a strong foundation in computational drug design and artificial intelligence, Dr. Qiu Yue continues to bridge traditional and modern medicine, creating a lasting impact in the field of biopharmaceutical sciences.
📖Notable Publications
In Silico Study of the Acquired Resistance Caused by the Secondary Mutations of KRAS G12C Protein Using Long Time Molecular Dynamics Simulation and …
Authors: G Tu, Q Liu, Y Qiu, ELH Leung, X Yao
Journal: International Journal of Molecular Sciences
Year: 2022
Zhujie Hewei Granules Ameliorated Reflux Esophagitis in Rats
Authors: Y Qiu, J Hu, C Zhao, J Zhang, F Wu, B Ma, Y Feng, K Ruan
Journal: Evidence‐Based Complementary and Alternative Medicine
Year: 2019
Design and Synthesis of Isatin Derivatives as Effective SARS‐CoV‐2 3CL Protease Inhibitors
Authors: HL Bao, G Tu, Q Yue, P Liu, HL Zheng, XJ Yao
Journal: Chemical Biology & Drug Design
Year: 2023
Discovery of the Cryptic Sites of SARS-CoV-2 Papain-Like Protease and Analysis of Its Druggability
Authors: Y Qiu, Q Liu, G Tu, XJ Yao
Journal: International Journal of Molecular Sciences
Year: 2022
Long-Timescale Simulations Revealed Critical Non-Conserved Residues of Phosphodiesterases Affecting Selectivity of BAY60-7550
Authors: Q Liu, M Song, Y Qiu, ELH Leung, Q Huang, X Yao
Journal: Computational and Structural Biotechnology Journal
Year: 2022