Shen J - Search Results

1

Computational insights into the mechanism of ligand unbinding and selectivity of estrogen receptors.

Shen J, Li W, Liu G, Tang Y, Jiang H. Shen J, et al. J Phys Chem B. 2009 Jul 30;113(30):10436-44. doi: 10.1021/jp903785h. J Phys Chem B. 2009. PMID: 19583238

2

Discovery and structure-activity analysis of selective estrogen receptor modulators via similarity-based virtual screening.

Shen J, Jiang J, Kuang G, Tan C, Liu G, Huang J, Tang Y. Shen J, et al. Eur J Med Chem. 2012 Aug;54:188-96. doi: 10.1016/j.ejmech.2012.04.041. Epub 2012 May 14. Eur J Med Chem. 2012. PMID: 22647217

3

Computational Insights into Ligand Selectivity of Estrogen Receptors from Pharmacophore Modeling.

Fang J, Shen J, Cheng F, Xu Z, Liu G, Tang Y. Fang J, et al. Among authors: shen j. Mol Inform. 2011 Jun;30(6-7):539-49. doi: 10.1002/minf.201000170. Epub 2011 May 23. Mol Inform. 2011. PMID: 27467155

4

Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening.

Shen J, Tan C, Zhang Y, Li X, Li W, Huang J, Shen X, Tang Y. Shen J, et al. Among authors: shen x. J Med Chem. 2010 Jul 22;53(14):5361-5. doi: 10.1021/jm100369g. J Med Chem. 2010. PMID: 20553023

5

Possible ligand release pathway of dipeptidyl peptidase IV investigated by molecular dynamics simulations.

Li C, Shen J, Li W, Lu C, Liu G, Tang Y. Li C, et al. Among authors: shen j. Proteins. 2011 Jun;79(6):1800-9. doi: 10.1002/prot.23004. Epub 2011 Apr 4. Proteins. 2011. PMID: 21465558

6

Computational insights into the different catalytic activities of CYP2A13 and CYP2A6 on NNK.

Xu Y, Shen Z, Shen J, Liu G, Li W, Tang Y. Xu Y, et al. Among authors: shen z, shen j. J Mol Graph Model. 2011 Sep;30:1-9. doi: 10.1016/j.jmgm.2011.05.002. Epub 2011 May 27. J Mol Graph Model. 2011. PMID: 21680215

7

Accuracy assessment of protein-based docking programs against RNA targets.

Li Y, Shen J, Sun X, Li W, Liu G, Tang Y. Li Y, et al. Among authors: shen j. J Chem Inf Model. 2010 Jun 28;50(6):1134-46. doi: 10.1021/ci9004157. J Chem Inf Model. 2010. PMID: 20481574

8

Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations.

Li W, Shen J, Liu G, Tang Y, Hoshino T. Li W, et al. Among authors: shen j. Proteins. 2011 Jan;79(1):271-81. doi: 10.1002/prot.22880. Proteins. 2011. PMID: 21058395

9

In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods.

Cheng F, Shen J, Yu Y, Li W, Liu G, Lee PW, Tang Y. Cheng F, et al. Among authors: shen j. Chemosphere. 2011 Mar;82(11):1636-43. doi: 10.1016/j.chemosphere.2010.11.043. Epub 2010 Dec 9. Chemosphere. 2011. PMID: 21145574

10

Classification of cytochrome P450 inhibitors and noninhibitors using combined classifiers.

Cheng F, Yu Y, Shen J, Yang L, Li W, Liu G, Lee PW, Tang Y. Cheng F, et al. Among authors: shen j. J Chem Inf Model. 2011 May 23;51(5):996-1011. doi: 10.1021/ci200028n. Epub 2011 Apr 14. J Chem Inf Model. 2011. PMID: 21491913

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