Kang Y - Search Results

1

ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches.

Lei T, Sun H, Kang Y, Zhu F, Liu H, Zhou W, Wang Z, Li D, Li Y, Hou T. Lei T, et al. Among authors: kang y. Mol Pharm. 2017 Nov 6;14(11):3935-3953. doi: 10.1021/acs.molpharmaceut.7b00631. Epub 2017 Oct 27. Mol Pharm. 2017. PMID: 29037046

2

ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity.

Lei T, Chen F, Liu H, Sun H, Kang Y, Li D, Li Y, Hou T. Lei T, et al. Among authors: kang y. Mol Pharm. 2017 Jul 3;14(7):2407-2421. doi: 10.1021/acs.molpharmaceut.7b00317. Epub 2017 Jun 21. Mol Pharm. 2017. PMID: 28595388

3

Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches.

Sun H, Li Y, Shen M, Li D, Kang Y, Hou T. Sun H, et al. Among authors: kang y. J Chem Inf Model. 2017 Aug 28;57(8):1895-1906. doi: 10.1021/acs.jcim.7b00075. Epub 2017 Aug 11. J Chem Inf Model. 2017. PMID: 28749138

4

Combating Drug-Resistant Mutants of Anaplastic Lymphoma Kinase with Potent and Selective Type-I^1/2 Inhibitors by Stabilizing Unique DFG-Shifted Loop Conformation.

Pan P, Yu H, Liu Q, Kong X, Chen H, Chen J, Liu Q, Li D, Kang Y, Sun H, Zhou W, Tian S, Cui S, Zhu F, Li Y, Huang Y, Hou T. Pan P, et al. Among authors: kang y. ACS Cent Sci. 2017 Nov 22;3(11):1208-1220. doi: 10.1021/acscentsci.7b00419. Epub 2017 Nov 3. ACS Cent Sci. 2017. PMID: 29202023 Free PMC article.

5

HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.

Feng T, Chen F, Kang Y, Sun H, Liu H, Li D, Zhu F, Hou T. Feng T, et al. Among authors: kang y. J Cheminform. 2017 Dec 28;9(1):66. doi: 10.1186/s13321-017-0254-7. J Cheminform. 2017. PMID: 29282565 Free PMC article.

6

Benchmark Study Based on 2P2I_DB to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors.

Wang Z, Kang Y, Li D, Sun H, Dong X, Yao X, Xu L, Chang S, Li Y, Hou T. Wang Z, et al. Among authors: kang y. J Phys Chem B. 2018 Mar 8;122(9):2544-2555. doi: 10.1021/acs.jpcb.7b12658. Epub 2018 Feb 22. J Phys Chem B. 2018. PMID: 29420886

7

Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products.

Shang J, Hu B, Wang J, Zhu F, Kang Y, Li D, Sun H, Kong DX, Hou T. Shang J, et al. Among authors: kang y. J Chem Inf Model. 2018 Jun 25;58(6):1182-1193. doi: 10.1021/acs.jcim.8b00125. Epub 2018 Jun 7. J Chem Inf Model. 2018. PMID: 29792805

8

farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.

Wang Z, Wang X, Li Y, Lei T, Wang E, Li D, Kang Y, Zhu F, Hou T. Wang Z, et al. Among authors: kang y. Bioinformatics. 2019 May 15;35(10):1777-1779. doi: 10.1093/bioinformatics/bty879. Bioinformatics. 2019. PMID: 30329012

9

Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study.

Xie T , Yu J , Fu W , Wang Z , Xu L , Chang S , Wang E , Zhu F , Zeng S , Kang Y , Hou T . Xie T , et al. Among authors: kang y. Phys Chem Chem Phys. 2019 Jun 28;21(24):12931-12947. doi: 10.1039/c9cp02024a. Epub 2019 Jun 5. Phys Chem Chem Phys. 2019. PMID: 31165133

10

DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs.

Yu J, Xie T, Wang Z, Wang X, Zeng S, Kang Y, Hou T. Yu J, et al. Among authors: kang y. Drug Discov Today. 2019 Dec;24(12):2323-2331. doi: 10.1016/j.drudis.2019.08.006. Epub 2019 Sep 5. Drug Discov Today. 2019. PMID: 31494187 Review.

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