Li Y - Search Results

1

A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids.

Chu H, Peng X, Li Y, Zhang Y, Li G. Chu H, et al. Among authors: li y, li g. Molecules. 2017 Dec 31;23(1):77. doi: 10.3390/molecules23010077. Molecules. 2017. PMID: 29301229 Free PMC article.

2

Combined 3D-QSAR, molecular docking, and molecular dynamics study on piperazinyl-glutamate-pyridines/pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation.

Hao M, Li Y, Wang Y, Yan Y, Zhang S, Li G, Yang L. Hao M, et al. Among authors: li y, li g. J Chem Inf Model. 2011 Oct 24;51(10):2560-72. doi: 10.1021/ci2002878. Epub 2011 Sep 29. J Chem Inf Model. 2011. PMID: 21923153

3

Structural determinants of CX-4945 derivatives as protein kinase CK2 inhibitors: a computational study.

Liu H, Wang X, Wang J, Wang J, Li Y, Yang L, Li G. Liu H, et al. Among authors: li y, li g. Int J Mol Sci. 2011;12(10):7004-21. doi: 10.3390/ijms12107004. Epub 2011 Oct 20. Int J Mol Sci. 2011. PMID: 22072932 Free PMC article.

4

In silico identification of structure requirement for novel thiazole and oxazole derivatives as potent fructose 1,6-bisphosphatase inhibitors.

Hao M, Zhang X, Ren H, Li Y, Zhang S, Luo F, Ji M, Li G, Yang L. Hao M, et al. Among authors: li y, li g. Int J Mol Sci. 2011;12(11):8161-80. doi: 10.3390/ijms12118161. Epub 2011 Nov 18. Int J Mol Sci. 2011. PMID: 22174657 Free PMC article.

5

Structural requirements of N-substituted spiropiperidine analogues as agonists of nociceptin/orphanin FQ receptor.

Bao P, Zhang X, Ren H, Li Y, Mu Z, Zhang S, Li G, Yang L. Bao P, et al. Among authors: li y, li g. Int J Mol Sci. 2011;12(12):8961-81. doi: 10.3390/ijms12128961. Epub 2011 Dec 6. Int J Mol Sci. 2011. PMID: 22272114 Free PMC article.

6

Exploring the structure requirement for PKCθ inhibitory activity of pyridinecarbonitrile derivatives: an in silico analysis.

Li Y, Hao M, Ren H, Zhang S, Wang X, Ma M, Li G, Yang L. Li Y, et al. Among authors: li g. J Mol Graph Model. 2012 Apr;34:76-88. doi: 10.1016/j.jmgm.2011.12.010. Epub 2012 Jan 3. J Mol Graph Model. 2012. PMID: 22306416

7

Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: mechanism for drug resistance.

Zhang H, Yao Y, Yang H, Wang X, Kang Z, Li Y, Li G, Wang Y. Zhang H, et al. Among authors: li y, li g. Insect Biochem Mol Biol. 2012 Aug;42(8):583-95. doi: 10.1016/j.ibmb.2012.04.005. Epub 2012 Apr 23. Insect Biochem Mol Biol. 2012. PMID: 22549081

8

Identification of novel potential β-N-acetyl-D-hexosaminidase inhibitors by virtual screening, molecular dynamics simulation and MM-PBSA calculations.

Liu J, Liu M, Yao Y, Wang J, Li Y, Li G, Wang Y. Liu J, et al. Among authors: li y, li g. Int J Mol Sci. 2012;13(4):4545-4563. doi: 10.3390/ijms13044545. Epub 2012 Apr 10. Int J Mol Sci. 2012. PMID: 22605995 Free PMC article.

9

Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: an in silico analysis.

Li Y, Wu W, Ren H, Wang J, Zhang S, Li G, Yang L. Li Y, et al. Among authors: li g. J Mol Graph Model. 2012 Sep;38:112-22. doi: 10.1016/j.jmgm.2012.07.003. Epub 2012 Jul 16. J Mol Graph Model. 2012. PMID: 23085160

10

Theoretical study on the structures and properties of mixtures of urea and choline chloride.

Sun H, Li Y, Wu X, Li G. Sun H, et al. Among authors: li y, li g. J Mol Model. 2013 Jun;19(6):2433-41. doi: 10.1007/s00894-013-1791-2. Epub 2013 Feb 23. J Mol Model. 2013. PMID: 23435478

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