Dr. Jingjing Guo obtained her Ph.D. degree in medicinal chemistry from Lanzhou University in 2015. She joined the Center for Artificial Intelligence Driven Drug Discovery (AIDD) at Macao Polytechnic University in 2022. She has made a series of innovative achievements in computational biology and drug discovery. Now she has published more than 80 SCI papers, including Chemical Reviews, Elife, Angewandte Chemie International Edition, WIREs Computational Molecular Science, and other international authoritative journals. She has served as Associate Editor of Current Research in Structural Biology since January 2024.
Macao Polytechnic University
AIDD8121, Research Methodology and Ethics
AIDD8299, Thesis
2009-2015: Ph.D. in Medicinal Chemistry, Lanzhou University, China
2013-2015: Visiting Ph.D. student in Biophysics, Florida State University, United States
2005-2009: B.S. in Chemistry, Hebei Normal University, China
Ø Artificial intelligence and healthcare big data
Ø Artificial intelligence and drug discovery
Ø Rational design of enzymes
2022-present: Professor, Macao Polytechnic University
2019-2022: Professor, Nanjing Agricultural University, China
2017-2019: Research Fellow, Nanyang Technological University, Singapore
2015-2018: Associate Professor, Henan Normal University, China
Selected publications:
Shi, L.; Zhao, W.; Jiu, Z.; Guo, J.*; Zhu, Q.; Sun, Y.; Zhu, B.; Chang, J.; Xin, P.* Redox-Regulated Synthetic Channels: Enabling Reversible Ion Transport by Modulating the Ion-Permeation Pathway. Angew Chem Int Ed Engl 2024, e202403667. http://dx.doi.org/10.1002/anie.202403667
Bao, Y.; Jia, F.; Li, M.; Xu, R.; Xie, Y.; Zhang, F.*; Guo, J.* Characterizing the Molecular Mechanism of the Lethal C423D Mutation in FgMyoI: A Molecular Perspective. J Agric Food Chem 2024, 72, 1539-1549. http://dx.doi.org/10.1021/acs.jafc.3c08648
Li, M.; Zhang, X.; Li, S.; Guo, J.* Unraveling the Interplay of Extracellular Domain Conformational Changes and Parathyroid Hormone Type 1 Receptor Activation in Class B1 G Protein-Coupled Receptors: Integrating Enhanced Sampling Molecular Dynamics Simulations and Markov State Models. ACS Chem Neurosci 2024, 15, 844-853. http://dx.doi.org/10.1021/acschemneuro.3c00747
Jiao, F.; Cui, W.; Wang, P.; Tong, H. H. Y.; Guo, J.*; Tao, J.* Synergistic inhibition mechanism of quinazolinone and piperacillin on penicillin-binding protein 2a: a promising approach for combating methicillin-resistant Staphylococcus aureus. J Biomol Struct Dyn 2024, 1-13. http://dx.doi.org/10.1080/07391102.2024.2330708
Research Interests:
Tools and Resources:
Recently published papers:
Bao, Y.; Jia, F.; Li, M.; Xu, R.; Xie, Y.; Zhang, F.*; Guo, J.* Characterizing the Molecular Mechanism of the Lethal C423D Mutation in FgMyoI: A Molecular Perspective. J Agric Food Chem 2024, 72, 1539-1549. http://dx.doi.org/10.1021/acs.jafc.3c08648
Li, M.; Zhang, X.; Li, S.; Guo, J.* Unraveling the Interplay of Extracellular Domain Conformational Changes and Parathyroid Hormone Type 1 Receptor Activation in Class B1 G Protein-Coupled Receptors: Integrating Enhanced Sampling Molecular Dynamics Simulations and Markov State Models. ACS Chem Neurosci 2024, 15, 844-853. http://dx.doi.org/10.1021/acschemneuro.3c00747
Jiao, F.; Cui, W.; Wang, P.; Tong, H. H. Y.; Guo, J.*; Tao, J.* Synergistic inhibition mechanism of quinazolinone and piperacillin on penicillin-binding protein 2a: a promising approach for combating methicillin-resistant Staphylococcus aureus. J Biomol Struct Dyn 2024, 1-13. http://dx.doi.org/10.1080/07391102.2024.2330708
Bao, Y.; Jia, F.; Li, M.; Xu, R.; Xie, Y.; Zhang, F.*; Guo, J.* Characterizing the Molecular Mechanism of the Lethal C423D Mutation in FgMyoI: A Molecular Perspective. J Agric Food Chem 2024, 72, 1539-1549. http://dx.doi.org/10.1021/acs.jafc.3c08648
Guo, J*; Bao, Y; Li, M; Li, S; Xi, L; Xin, P; Wu, L; Liu, H; Mu, Y. Application of computational approaches in biomembranes: From structure to function. Wiley Interdiscip. Rev. Comput. Mol. Sci., 2023, 13, e1679.
2025 Fall Ph.D. students recruiting
Our research group was established in 2022 and is affiliated with the Artificial Intelligence Drug Discovery Center at Macau Polytechnic University. With a focus on "IT+BT," our research primarily revolves around AI-based protein and drug design, integrating information technology and biotechnology to advance life science research through molecular modeling, artificial intelligence, and big data technologies.
Professor Guo Jingjing's research group welcomes students or scholars who are passionate about research and possess a team spirit to join us. We welcome students who are interested in protein engineering and design, computer-aided drug design, artificial intelligence drug design, bioinformatics, and related fields to join our research team and contribute to the deep integration of "IT" and "BT."
There are several positions available for master and Ph.D. students. We welcome applications!
Interested individuals are requested to send their resumes and contact information to: jguo@mpu.edu.mo.
Macao SAR Government Portal | News
Research Achievements in Biomembrane Studies by Scholars from Macao Polytechnic University Published in Top Computational Mathematics Journal
https://www.gov.mo/en/news/312819/
8th September 2023 at 15:52
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Developed predictive models for bee toxicity and compound degradability, and revealed novel insights into their relationship.
The proposed model integrates pretraining, graph neural networks, and autoencoders for enhanced ecological impact prediction.
https://doi.org/10.1016/j.jhazmat.2024.134828