Welcome to Jour Lab
Bioinformatics and Cheminformatics
- Machine learning (ML) & Deep learning (DL)
- Molecular dynamics simulations (MD)
- Database & Tool & Web
1.Research
Computer-Aided Drug Screening and Design (CADD & AIDD & MD)
Computational Toxicology & Network Toxicology & Network Pharmacology
Computer-Aided Drug Screening and Design
Computer-Aided Binder Design (Protein & Nanobody)
Targeting Binder Screening and Analysis
Targeting Binder Inverse Folding and Generation
2.Publications
[1] Mao J, Luo QQ, Zhang HR, Zheng XH, Shen C, Qi HZ, Hu ML, Zhang H. Chemico-Biological Interactions. 2022 Jan 25;352:109784.link
[2] Mao J, Song Y, Kong M, Guo Y, Liu Y, Pu X. Thermostability Prediction Powered by Synergistic Deep Learning at Experimental and Theoretical Levels for Nanobodies. ACS Applied Materials & Interfaces. 2026 Jan 21.link
[3] Pan CC, Yang CM, Mao J*. Asian Journal of Psychiatry. 2025 Sep;111:104674.link
[4] Yang MH, Mao J#, Zhu JH, Zhang H, Ding L. Life Sciences. 2022 Apr 30:120583.link
[5] Li YL, Mao J#, Tian XF, Song H, Ren JX. Journal of Molecular Structure. 2025 Mar 5;1324:140905.link
[6] Li YL, Mao J#, Cheng Z, Zhou XY, Zhang DN, Li YZ, Cao ZX, Ren JX. Molecular diversity. 2025 Apr 16.link
[7] Zhang H, Mao J#, Qi HZ, Xie HZ, Shen C, Liu CT, Ding L. Food and Chemical Toxicology. 2020 Sep;143:111513.link
[8] Zhang H, Mao J#, Yang YL, Liu CT, Shen C, Zhang HR, Xie HZ, Ding L. Journal of Cellular Biochemistry. 2021 Nov;122(11):1609-1624.link
[9] Zhang H, Mao J#, Qi HZ, Ding L. Molecular diversity. 2020 Nov;24(4):1281-1290.link
[10] Kong M, Chen X, Mao J, Yu J, Song YP, Guo YZ, Pu XM. Journal of Chemical Theory and Computation. 2025 Oct 14;21(19):9669-9686. link
[11] Hu J, Yang SR, Mao J, Shi CJ, Wang GC, Liu YJ, Pu XM. Journal of Alloys and Compounds. 2023, 947, 169479.link
[12] Zhang H, Qi HZ, Mao J, Zhang HR, Luo QQ, Hu ML, Shen C, Ding L. Bioorganic Chemistry. 2022 Mar 12;122:105722.link
[13] Zhang H, Liu CT, Mao J, Shen C, Xie RL, Mu B. Toxicology in Vitro. 2020 Jun;65:104812.link
[14] Zhang H, Shen C, Liu RZ, Mao J, Liu CT, Mu B. Journal of Applied Toxicology. 2020 Sep;40(9):1198-1209.link
[15] Chen X, Wang K, Chen J, Wu C, Mao J, Song Y, Liu Y, Shao Z, Pu X. Nature Communications. 2024 Sep 16;15(1):8130.link
[16] First author [Under Review] (NBsPocket: A Computational Platform Integrating an Engineered Pocket Database for Hapten-Specific Nanobody Discovery and Rational Design)
[17] Co-first Author 2 [Under Review] (Discovery of anti-glioblastoma natural products based on andrographolide derivatives: Efficient identification of multi-target and multi-functional molecules through the integration of in silico methods and experimental verification)
[18] Co-first Author 2 [Under Review] (Bridging Machine Learning and Physics: Blood-Brain Barrier Permeability Prediction and Molecular Dynamics Validation.)
3.Software & Webserver
[1] NBsTem: Nanobody Thermostability Predictionlink
[2] NBsPocket: Hapten-Specific Nanobody Pocket Database, Screening and Analysislink
4.Links
For Antibody & Nanobody
[1] SAbDab: a database containing all the antibody structures available in the PDB.link
[2] SAbDab-nano: a sub-database of SAbDab containing all single-domain antibody structures available in the PDB.link
[3] SAbPred: a collection of computational tools that make predictions about the properties of antibodies, focusing on their structures.link
[Other links will be released after being sorted out.]
5.About
Bioinformatics and Cheminformatics in Chengdu Medical University
2026-now: Faculty Position (Teaching & Research)
Bioinformatics and Cheminformatics in SiChuan University
2022-2026: PhD
Biochemistry and Molecular Biology, Computer-aided drug design & Computational toxicology
2019-2022: Master
Bioinformatics in Zhejiang University
2017-2019: Research Assistant
Biotechnology, Genetic engineering & Cell engineering
2014-2018: Undergraduate
Jourmore
maojun@stu.scu.edu.cn
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