Zheng M - 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. Among authors: zheng m. 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

Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score.

Chen G, Zheng S, Luo X, Shen J, Zhu W, Liu H, Gui C, Zhang J, Zheng M, Puah CM, Chen K, Jiang H. Chen G, et al. Among authors: zheng s, zheng m. J Comb Chem. 2005 May-Jun;7(3):398-406. doi: 10.1021/cc049866h. J Comb Chem. 2005. PMID: 15877468

3

Dynamic mechanism of fatty acid transport across cellular membranes through FadL: molecular dynamics simulations.

Zou H, Zheng M, Luo X, Zhu W, Chen K, Shen J, Jiang H. Zou H, et al. Among authors: zheng m. J Phys Chem B. 2008 Oct 16;112(41):13070-8. doi: 10.1021/jp710964x. Epub 2008 Sep 24. J Phys Chem B. 2008. PMID: 18811191

4

Knowledge-based scoring functions in drug design. 1. Developing a target-specific method for kinase-ligand interactions.

Xue M, Zheng M, Xiong B, Li Y, Jiang H, Shen J. Xue M, et al. Among authors: zheng m. J Chem Inf Model. 2010 Aug 23;50(8):1378-86. doi: 10.1021/ci100182c. J Chem Inf Model. 2010. PMID: 20681607

5

Knowledge-based scoring functions in drug design: 2. Can the knowledge base be enriched?

Shen Q, Xiong B, Zheng M, Luo X, Luo C, Liu X, Du Y, Li J, Zhu W, Shen J, Jiang H. Shen Q, et al. Among authors: zheng m. J Chem Inf Model. 2011 Feb 28;51(2):386-97. doi: 10.1021/ci100343j. Epub 2010 Dec 30. J Chem Inf Model. 2011. PMID: 21192670

6

Computational screening for active compounds targeting protein sequences: methodology and experimental validation.

Wang F, Liu D, Wang H, Luo C, Zheng M, Liu H, Zhu W, Luo X, Zhang J, Jiang H. Wang F, et al. Among authors: zheng m. J Chem Inf Model. 2011 Nov 28;51(11):2821-8. doi: 10.1021/ci200264h. Epub 2011 Oct 11. J Chem Inf Model. 2011. PMID: 21955088

7

Knowledge-based scoring functions in drug design: 3. A two-dimensional knowledge-based hydrogen-bonding potential for the prediction of protein-ligand interactions.

Zheng M, Xiong B, Luo C, Li S, Liu X, Shen Q, Li J, Zhu W, Luo X, Jiang H. Zheng M, et al. J Chem Inf Model. 2011 Nov 28;51(11):2994-3004. doi: 10.1021/ci2003939. Epub 2011 Oct 28. J Chem Inf Model. 2011. PMID: 21999432

8

Estimation of carcinogenicity using molecular fragments tree.

Wang Y, Lu J, Wang F, Shen Q, Zheng M, Luo X, Zhu W, Jiang H, Chen K. Wang Y, et al. Among authors: zheng m. J Chem Inf Model. 2012 Aug 27;52(8):1994-2003. doi: 10.1021/ci300266p. Epub 2012 Aug 9. J Chem Inf Model. 2012. PMID: 22834690

9

Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking.

Fu J, Si P, Zheng M, Chen L, Shen X, Tang Y, Li W. Fu J, et al. Among authors: zheng m. Bioorg Med Chem Lett. 2012 Nov 15;22(22):6848-53. doi: 10.1016/j.bmcl.2012.09.045. Epub 2012 Sep 23. Bioorg Med Chem Lett. 2012. PMID: 23040732

10

Toward understanding the molecular basis for chemical allosteric modulator design.

Wang Q, Zheng M, Huang Z, Liu X, Zhou H, Chen Y, Shi T, Zhang J. Wang Q, et al. Among authors: zheng m. J Mol Graph Model. 2012 Sep;38:324-33. doi: 10.1016/j.jmgm.2012.07.006. Epub 2012 Aug 8. J Mol Graph Model. 2012. PMID: 23085171

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