1. P. Gao, 
 X. Jiang, 
 J. Li, 
 J. Nicolas,* and T. Ha-Duong,* Molecular simulations of polymer-based drug nanocarriers: from physical and structural properties to controlled release. Adv. Healthcare Mater., 2025, e03503. (Hot Topic: Drug Delivery)
2. Y. Liu, S. Xie, Z. Chen, J. Gao, K. Xu, P. Gao,* L. Jiang,* and J. Li,* Microscopic insight into self-assembly of amphiphilic peptides: the influence of hydrophilic residues, Phys. Chem. Chem. Phys., 2025, Advance Article.
3. H. Zhang, Z. Xie, S. Xie, J. Wu, M. Khan, P. Gao,* and J. Li,* Targeting Urokinase-type plasminogen activator receptor (uPAR) in cancer therapy: Insights from the development of small-molecule inhibitors. Bioorg. Chem., 2025, 163, 108773.
4. P. Gao, T. Ha-Duong,* and J. Nicolas,* Coarse-grained model-assisted design of optimized polymer prodrug nanoparticles: A combined theoretical and experimental study. Angew. Chem. Int. Ed., 2024, 136, e202316056.
5. P. Gao, J. Nicolas,* and T. Ha-Duong,* Supramolecular organization of polymer prodrug nanoparticles revealed by coarse-grained simulations. J. Am. Chem. Soc.,2021, 143, 17412-17423.
6. P. Gao, X. Sun, B. Liu, H. Lian, X. Liu, and J. S. Shen,* Cu MOF-based catalytic sensing for formaldehyde. J. Mater. Chem. C, 2018, 6, 8105-8114.
7. P. Gao, Y. Si, P. Li, X. Sun, B. Liu, J.S. Shen.* A Fe-MOFs-based catalytic sensing system with high selectivity and sensitivity. Sci. Sin. Chim., 2019, 49, 1114-1124.