Zhang Y - Search Results

1

A 4D tensor-enhanced multi-dimensional convolutional neural network for accurate prediction of protein-ligand binding affinity.

Huang D, Wang Y, Sun Y, Ji W, Zhang Q, Jiang Y, Qiu H, Liu H, Lu T, Wei X, Chen Y, Zhang Y. Huang D, et al. Among authors: zhang q, zhang y. Mol Divers. 2024 Dec 23. doi: 10.1007/s11030-024-11044-y. Online ahead of print. Mol Divers. 2024. PMID: 39714563

2

Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset.

Deng C, Liang L, Xing G, Hua Y, Lu T, Zhang Y, Chen Y, Liu H. Deng C, et al. Among authors: zhang y. Mol Divers. 2023 Jun;27(3):1023-1035. doi: 10.1007/s11030-022-10465-x. Epub 2022 Jun 23. Mol Divers. 2023. PMID: 35739374

3

Multimodal multi-task deep neural network framework for kinase-target prediction.

Hua Y, Luo L, Qiu H, Huang D, Zhao Y, Liu H, Lu T, Chen Y, Zhang Y, Jiang Y. Hua Y, et al. Among authors: zhang y. Mol Divers. 2023 Dec;27(6):2491-2503. doi: 10.1007/s11030-022-10565-8. Epub 2022 Nov 11. Mol Divers. 2023. PMID: 36369613

4

De novo design of N-(pyridin-4-ylmethyl)aniline derivatives as KDR inhibitors: 3D-QSAR, molecular fragment replacement, protein-ligand interaction fingerprint, and ADMET prediction.

Zhang Y, Liu H, Jiao Y, Yuan H, Wang F, Lu S, Yao S, Ke Z, Tai W, Jiang Y, Chen Y, Lu T. Zhang Y, et al. Mol Divers. 2012 Nov;16(4):787-802. doi: 10.1007/s11030-012-9405-y. Epub 2012 Oct 23. Mol Divers. 2012. PMID: 23090418

5

An efficient multistep ligand-based virtual screening approach for GPR40 agonists.

Yao S, Lu T, Zhou Z, Liu H, Yuan H, Ran T, Lu S, Zhang Y, Ke Z, Xu J, Xiong X, Chen Y. Yao S, et al. Among authors: zhang y. Mol Divers. 2014 Feb;18(1):183-93. doi: 10.1007/s11030-013-9493-3. Epub 2013 Dec 5. Mol Divers. 2014. PMID: 24307222

6

Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds.

Zhang Y, Jiao Y, Xiong X, Liu H, Ran T, Xu J, Lu S, Xu A, Pan J, Qiao X, Shi Z, Lu T, Chen Y. Zhang Y, et al. Mol Divers. 2015 Nov;19(4):895-913. doi: 10.1007/s11030-015-9592-4. Epub 2015 May 29. Mol Divers. 2015. PMID: 26022686

7

Studies on [5,6]-Fused Bicyclic Scaffolds Derivatives as Potent Dual B-RafV600E/KDR Inhibitors Using Docking and 3D-QSAR Approaches.

Liu HC, Tang SZ, Lu S, Ran T, Wang J, Zhang YM, Xu AY, Lu T, Chen YD. Liu HC, et al. Int J Mol Sci. 2015 Oct 15;16(10):24451-74. doi: 10.3390/ijms161024451. Int J Mol Sci. 2015. PMID: 26501259 Free PMC article.

8

QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1α.

Pan J, Zhang Y, Ran T, Xu A, Qiao X, Yin L, Zhou W, Zhu L, Zhao J, Lu T, Chen Y, Jiang Y. Pan J, et al. Among authors: zhang y. Mol Divers. 2017 Aug;21(3):719-739. doi: 10.1007/s11030-017-9750-y. Epub 2017 Jul 8. Mol Divers. 2017. PMID: 28689235

9

ADME properties evaluation in drug discovery: in silico prediction of blood-brain partitioning.

Zhu L, Zhao J, Zhang Y, Zhou W, Yin L, Wang Y, Fan Y, Chen Y, Liu H. Zhu L, et al. Among authors: zhang y. Mol Divers. 2018 Nov;22(4):979-990. doi: 10.1007/s11030-018-9866-8. Epub 2018 Aug 6. Mol Divers. 2018. PMID: 30083853

10

Prediction of hERG K+ channel blockage using deep neural networks.

Zhang Y, Zhao J, Wang Y, Fan Y, Zhu L, Yang Y, Chen X, Lu T, Chen Y, Liu H. Zhang Y, et al. Chem Biol Drug Des. 2019 Sep;94(5):1973-1985. doi: 10.1111/cbdd.13600. Epub 2019 Sep 6. Chem Biol Drug Des. 2019. PMID: 31394026

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