Li W - Search Results

1

Unbinding pathways of GW4064 from human farnesoid X receptor as revealed by molecular dynamics simulations.

Li W, Fu J, Cheng F, Zheng M, Zhang J, Liu G, Tang Y. Li W, et al. J Chem Inf Model. 2012 Nov 26;52(11):3043-52. doi: 10.1021/ci300459k. Epub 2012 Nov 5. J Chem Inf Model. 2012. PMID: 23101941

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

Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.

Deng G, Li W, Shen J, Jiang H, Chen K, Liu H. Deng G, et al. Among authors: li w. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5497-502. doi: 10.1016/j.bmcl.2008.09.027. Epub 2008 Sep 10. Bioorg Med Chem Lett. 2008. PMID: 18815030

7

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

8

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

9

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

10

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

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