Li W - Search Results

1

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: li w. Chemosphere. 2011 Mar;82(11):1636-43. doi: 10.1016/j.chemosphere.2010.11.043. Epub 2010 Dec 9. Chemosphere. 2011. PMID: 21145574

2

Possible pathway(s) of metyrapone egress from the active site of cytochrome P450 3A4: a molecular dynamics simulation.

Li W, Liu H, Luo X, Zhu W, Tang Y, Halpert JR, Jiang H. Li W, et al. Drug Metab Dispos. 2007 Apr;35(4):689-96. doi: 10.1124/dmd.106.014019. Epub 2007 Jan 24. Drug Metab Dispos. 2007. PMID: 17251305

3

Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking.

Li W, Tang Y, Liu H, Cheng J, Zhu W, Jiang H. Li W, et al. Proteins. 2008 May 1;71(2):938-49. doi: 10.1002/prot.21778. Proteins. 2008. PMID: 18004755

4

Insights into the interactions between HIV-1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation.

Zhao Y, Li W, Zeng J, Liu G, Tang Y. Zhao Y, et al. Among authors: li w. Proteins. 2008 Aug;72(2):635-45. doi: 10.1002/prot.21955. Proteins. 2008. PMID: 18247352

5

Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.

Zeng J, Li W, Zhao Y, Liu G, Tang Y, Jiang H. Zeng J, et al. Among authors: li w. J Phys Chem B. 2008 Mar 6;112(9):2719-26. doi: 10.1021/jp710029r. Epub 2008 Feb 12. J Phys Chem B. 2008. PMID: 18266357

6

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. Among authors: li w. J Phys Chem B. 2009 Jul 30;113(30):10436-44. doi: 10.1021/jp903785h. J Phys Chem B. 2009. PMID: 19583238

7

Molecular modeling of human cytochrome P450 2W1 and its interactions with substrates.

Li W, Tang Y, Hoshino T, Neya S. Li W, et al. J Mol Graph Model. 2009 Sep;28(2):170-6. doi: 10.1016/j.jmgm.2009.06.002. Epub 2009 Jun 21. J Mol Graph Model. 2009. PMID: 19596602

8

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: li w. J Chem Inf Model. 2010 Jun 28;50(6):1134-46. doi: 10.1021/ci9004157. J Chem Inf Model. 2010. PMID: 20481574

9

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: li w, li x. J Med Chem. 2010 Jul 22;53(14):5361-5. doi: 10.1021/jm100369g. J Med Chem. 2010. PMID: 20553023

10

Estimation of ADME properties with substructure pattern recognition.

Shen J, Cheng F, Xu Y, Li W, Tang Y. Shen J, et al. Among authors: li w. J Chem Inf Model. 2010 Jun 28;50(6):1034-41. doi: 10.1021/ci100104j. J Chem Inf Model. 2010. PMID: 20578727

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