Li D - Search Results

1

Prediction of luciferase inhibitors by the high-performance MIEC-GBDT approach based on interaction energetic patterns.

Chen F, Sun H, Liu H, Li D, Li Y, Hou T. Chen F, et al. Among authors: li d, li y. Phys Chem Chem Phys. 2017 Apr 12;19(15):10163-10176. doi: 10.1039/c6cp08232g. Phys Chem Chem Phys. 2017. PMID: 28374029

2

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.

3

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

4

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

5

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

6

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

7

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

8

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

9

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.

10

Theoretical studies on beta and delta isoform-specific binding mechanisms of phosphoinositide 3-kinase inhibitors.

Zhu J, Pan P, Li Y, Wang M, Li D, Cao B, Mao X, Hou T. Zhu J, et al. Among authors: li d, li y. Mol Biosyst. 2014 Mar 4;10(3):454-66. doi: 10.1039/c3mb70314b. Epub 2013 Dec 16. Mol Biosyst. 2014. PMID: 24336903

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