Lei J - Search Results

1

How Good are Current Pocket-Based 3D Generative Models?: The Benchmark Set and Evaluation of Protein Pocket-Based 3D Molecular Generative Models.

Liu H, Qin Y, Niu Z, Xu M, Wu J, Xiao X, Lei J, Ran T, Chen H. Liu H, et al. Among authors: lei j. J Chem Inf Model. 2024 Dec 23;64(24):9260-9275. doi: 10.1021/acs.jcim.4c01598. Epub 2024 Dec 4. J Chem Inf Model. 2024. PMID: 39629985

2

GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning.

Zhang H, Huang J, Xie J, Huang W, Yang Y, Xu M, Lei J, Chen H. Zhang H, et al. Among authors: lei j. J Chem Inf Model. 2024 Feb 12;64(3):666-676. doi: 10.1021/acs.jcim.3c01700. Epub 2024 Jan 19. J Chem Inf Model. 2024. PMID: 38241022

3

DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design.

Tan Y, Dai L, Huang W, Guo Y, Zheng S, Lei J, Chen H, Yang Y. Tan Y, et al. Among authors: lei j. J Chem Inf Model. 2022 Dec 12;62(23):5907-5917. doi: 10.1021/acs.jcim.2c00982. Epub 2022 Nov 20. J Chem Inf Model. 2022. PMID: 36404642

4

3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates.

Xu M, Huang W, Xu M, Lei J, Chen H. Xu M, et al. Among authors: lei j. Molecules. 2022 Dec 31;28(1):321. doi: 10.3390/molecules28010321. Molecules. 2022. PMID: 36615515 Free PMC article.

5

DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model.

Xie J, Chen S, Lei J, Yang Y. Xie J, et al. Among authors: lei j. J Chem Inf Model. 2024 Apr 8;64(7):2554-2564. doi: 10.1021/acs.jcim.3c01466. Epub 2024 Jan 24. J Chem Inf Model. 2024. PMID: 38267393

6

Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A_2B receptor antagonists.

Qin R, Zhang H, Huang W, Shao Z, Lei J. Qin R, et al. Among authors: lei j. J Biomol Struct Dyn. 2023 Dec 22:1-17. doi: 10.1080/07391102.2023.2295974. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 38133953

7

Structure-Based Virtual Screening for Methyltransferase Inhibitors of SARS-CoV-2 nsp14 and nsp16.

Wu K, Guo Y, Xu T, Huang W, Guo D, Cao L, Lei J. Wu K, et al. Among authors: lei j. Molecules. 2024 May 15;29(10):2312. doi: 10.3390/molecules29102312. Molecules. 2024. PMID: 38792173 Free PMC article.

8

Blue Light-Promoted Formal [4+1]-Annulation of Diazoacetates with o-Aminoacetophenones: Synthesis of Polysubstituted Indolines and Computational Study.

Chen J, Liu S, Lv X, Hong K, Lei J, Xu X, Hu W. Chen J, et al. Among authors: lei j. J Org Chem. 2020 Nov 6;85(21):13920-13928. doi: 10.1021/acs.joc.0c01974. Epub 2020 Oct 9. J Org Chem. 2020. PMID: 33034191

9

Discovery of Novel Benzo[4,5]imidazo[1,2-a]pyrazin-1-amine-3-amide-one Derivatives as Anticancer Human A_2A Adenosine Receptor Antagonists.

Liu S, Ding W, Huang W, Zhang Z, Guo Y, Zhang Q, Wu L, Li Y, Qin R, Li J, Shi T, Zhang X, Lei J, Hu W. Liu S, et al. Among authors: lei j. J Med Chem. 2022 Jul 14;65(13):8933-8947. doi: 10.1021/acs.jmedchem.2c00101. Epub 2022 Jun 17. J Med Chem. 2022. PMID: 35714367

10

A gold(i)-catalysed chemoselective three-component reaction between phenols, α-diazocarbonyl compounds and allenamides.

Yu S, Chen J, Liu G, Lei J, Hu W, Qiu H. Yu S, et al. Among authors: lei j. Chem Commun (Camb). 2020 Feb 7;56(11):1649-1652. doi: 10.1039/c9cc09470a. Epub 2020 Jan 15. Chem Commun (Camb). 2020. PMID: 31939469

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