Li D - Search Results

1

Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approaches.

Xu L, Li Y, Sun H, Li D, Hou T. Xu L, et al. Among authors: li d, li y. Mol Biosyst. 2013 Aug;9(8):2107-17. doi: 10.1039/c3mb70120d. Epub 2013 May 24. Mol Biosyst. 2013. PMID: 23702796

2

Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations.

Li D, Han JG, Chen H, Li L, Zhao RN, Liu G, Duan Y. Li D, et al. Among authors: li l. J Mol Model. 2012 May;18(5):1841-54. doi: 10.1007/s00894-011-1205-2. Epub 2011 Aug 18. J Mol Model. 2012. PMID: 21850570

3

Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis.

Wu Q, Gao Q, Guo H, Li D, Wang J, Gao W, Han C, Li Y, Yang L. Wu Q, et al. Among authors: li d, li y. Mol Biosyst. 2013 Mar;9(3):386-97. doi: 10.1039/c2mb25501d. Epub 2013 Jan 25. Mol Biosyst. 2013. PMID: 23354020

4

Recent developments in computational prediction of HERG blockage.

Wang S, Li Y, Xu L, Li D, Hou T. Wang S, et al. Among authors: li d, li y. Curr Top Med Chem. 2013;13(11):1317-26. doi: 10.2174/15680266113139990036. Curr Top Med Chem. 2013. PMID: 23675938 Review.

5

Modeling compound-target interaction network of traditional Chinese medicines for type II diabetes mellitus: insight for polypharmacology and drug design.

Tian S, Li Y, Li D, Xu X, Wang J, Zhang Q, Hou T. Tian S, et al. Among authors: li d, li y. J Chem Inf Model. 2013 Jul 22;53(7):1787-803. doi: 10.1021/ci400146u. Epub 2013 Jun 26. J Chem Inf Model. 2013. PMID: 23768230

6

Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design.

Shen M, Zhou S, Li Y, Li D, Hou T. Shen M, et al. Among authors: li d, li y. Mol Biosyst. 2013 Oct;9(10):2435-46. doi: 10.1039/c3mb70168a. Mol Biosyst. 2013. PMID: 23881296

7

Insight into crizotinib resistance mechanisms caused by three mutations in ALK tyrosine kinase using free energy calculation approaches.

Sun H, Li Y, Li D, Hou T. Sun H, et al. Among authors: li d, li y. J Chem Inf Model. 2013 Sep 23;53(9):2376-89. doi: 10.1021/ci400188q. Epub 2013 Aug 29. J Chem Inf Model. 2013. PMID: 23952683

8

Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures.

Tian S, Sun H, Li Y, Pan P, Li D, Hou T. Tian S, et al. Among authors: li d, li y. J Chem Inf Model. 2013 Oct 28;53(10):2743-56. doi: 10.1021/ci400382r. Epub 2013 Sep 24. J Chem Inf Model. 2013. PMID: 24010823

9

Insights into susceptibility of antiviral drugs against the E119G mutant of 2009 influenza A (H1N1) neuraminidase by molecular dynamics simulations and free energy calculations.

Pan P, Li L, Li Y, Li D, Hou T. Pan P, et al. Among authors: li d, li y, li l. Antiviral Res. 2013 Nov;100(2):356-64. doi: 10.1016/j.antiviral.2013.09.006. Epub 2013 Sep 19. Antiviral Res. 2013. PMID: 24055835

10

Advances in the development of Rho-associated protein kinase (ROCK) inhibitors.

Pan P, Shen M, Yu H, Li Y, Li D, Hou T. Pan P, et al. Among authors: li d, li y. Drug Discov Today. 2013 Dec;18(23-24):1323-33. doi: 10.1016/j.drudis.2013.09.010. Epub 2013 Sep 25. Drug Discov Today. 2013. PMID: 24076262 Review.

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