Kang Y - Search Results

1

Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems.

Zhao Y, Zhang J, Zhang H, Gu S, Deng Y, Tu Y, Hou T, Kang Y. Zhao Y, et al. Among authors: kang y. J Phys Chem Lett. 2023 Feb 2;14(4):1103-1112. doi: 10.1021/acs.jpclett.2c03688. Epub 2023 Jan 26. J Phys Chem Lett. 2023. PMID: 36700836

2

Diameter selectivity of protein encapsulation in carbon nanotubes.

Kang Y, Wang Q, Liu YC, Shen JW, Wu T. Kang Y, et al. J Phys Chem B. 2010 Mar 4;114(8):2869-75. doi: 10.1021/jp905995s. J Phys Chem B. 2010. PMID: 20146524

3

Na⁺ and K⁺ ion selectivity by size-controlled biomimetic graphene nanopores.

Kang Y, Zhang Z, Shi H, Zhang J, Liang L, Wang Q, Ågren H, Tu Y. Kang Y, et al. Nanoscale. 2014 Sep 21;6(18):10666-72. doi: 10.1039/c4nr01383b. Epub 2014 Aug 4. Nanoscale. 2014. PMID: 25089590

4

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

5

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

6

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

7

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.

8

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

9

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

10

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

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