Mao J - Search Results

1

Interface-aware molecular generative framework for protein-protein interaction modulators.

Wang J, Mao J, Li C, Xiang H, Wang X, Wang S, Wang Z, Chen Y, Li Y, No KT, Song T, Zeng X. Wang J, et al. Among authors: mao j. J Cheminform. 2024 Dec 20;16(1):142. doi: 10.1186/s13321-024-00930-0. J Cheminform. 2024. PMID: 39707457 Free PMC article.

2

De novo molecular design with deep molecular generative models for PPI inhibitors.

Wang J, Chu Y, Mao J, Jeon HN, Jin H, Zeb A, Jang Y, Cho KH, Song T, No KT. Wang J, et al. Among authors: mao j. Brief Bioinform. 2022 Jul 18;23(4):bbac285. doi: 10.1093/bib/bbac285. Brief Bioinform. 2022. PMID: 35830870

3

Transformer-Based Molecular Generative Model for Antiviral Drug Design.

Mao J, Wang J, Zeb A, Cho KH, Jin H, Kim J, Lee O, Wang Y, No KT. Mao J, et al. J Chem Inf Model. 2024 Apr 8;64(7):2733-2745. doi: 10.1021/acs.jcim.3c00536. Epub 2023 Jun 27. J Chem Inf Model. 2024. PMID: 37366644 Free PMC article.

4

Exploring the Conformational Ensembles of Protein-Protein Complex with Transformer-Based Generative Model.

Wang J, Wang X, Chu Y, Li C, Li X, Meng X, Fang Y, No KT, Mao J, Zeng X. Wang J, et al. Among authors: mao j. J Chem Theory Comput. 2024 Jun 11;20(11):4469-4480. doi: 10.1021/acs.jctc.4c00255. Epub 2024 May 30. J Chem Theory Comput. 2024. PMID: 38816696

5

Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets.

Mao J, Zeb A, Kim MS, Jeon HN, Wang J, Guan S, No KT. Mao J, et al. Heliyon. 2022 Aug 4;8(8):e10011. doi: 10.1016/j.heliyon.2022.e10011. eCollection 2022 Aug. Heliyon. 2022. PMID: 36016529 Free PMC article.

6

Explore drug-like space with deep generative models.

Wang J, Mao J, Wang M, Le X, Wang Y. Wang J, et al. Among authors: mao j. Methods. 2023 Feb;210:52-59. doi: 10.1016/j.ymeth.2023.01.004. Epub 2023 Jan 19. Methods. 2023. PMID: 36682423

7

Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket.

Kim J, Jin H, Kim J, Cho SY, Moon S, Wang J, Mao J, No KT. Kim J, et al. Among authors: mao j. Int J Mol Sci. 2024 May 14;25(10):5358. doi: 10.3390/ijms25105358. Int J Mol Sci. 2024. PMID: 38791396 Free PMC article.

8

Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models.

Mao J, Akhtar J, Zhang X, Sun L, Guan S, Li X, Chen G, Liu J, Jeon HN, Kim MS, No KT, Wang G. Mao J, et al. iScience. 2021 Aug 28;24(9):103052. doi: 10.1016/j.isci.2021.103052. eCollection 2021 Sep 24. iScience. 2021. PMID: 34553136 Free PMC article. Review.

9

Application of a deep generative model produces novel and diverse functional peptides against microbial resistance.

Mao J, Guan S, Chen Y, Zeb A, Sun Q, Lu R, Dong J, Wang J, Cao D. Mao J, et al. Comput Struct Biotechnol J. 2022 Dec 19;21:463-471. doi: 10.1016/j.csbj.2022.12.029. eCollection 2023. Comput Struct Biotechnol J. 2022. PMID: 36618982 Free PMC article.

10

Characterization of three carrageenases from marine bacterium Shewanella sp. LE8: A novel approach for producing ι-carrageenan oligosaccharides.

Li X, Li C, Yao W, Mao J. Li X, et al. Among authors: mao j. Int J Biol Macromol. 2024 Dec 24:138973. doi: 10.1016/j.ijbiomac.2024.138973. Online ahead of print. Int J Biol Macromol. 2024. PMID: 39725097

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