Sun H - Search Results

1

The competitive binding between inhibitors and substrates of HCV NS3/4A protease: a general mechanism of drug resistance.

Guan Y, Sun H, Li Y, Pan P, Li D, Hou T. Guan Y, et al. Among authors: sun h. Antiviral Res. 2014 Mar;103:60-70. doi: 10.1016/j.antiviral.2014.01.010. Epub 2014 Jan 23. Antiviral Res. 2014. PMID: 24462696

2

Current developments of macrophage migration inhibitory factor (MIF) inhibitors.

Xu L, Li Y, Sun H, Zhen X, Qiao C, Tian S, Hou T. Xu L, et al. Among authors: sun h. Drug Discov Today. 2013 Jun;18(11-12):592-600. doi: 10.1016/j.drudis.2012.12.013. Epub 2013 Mar 4. Drug Discov Today. 2013. PMID: 23466524 Review.

3

Molecular principle of topotecan resistance by topoisomerase I mutations through molecular modeling approaches.

Pan P, Li Y, Yu H, Sun H, Hou T. Pan P, et al. Among authors: sun h. J Chem Inf Model. 2013 Apr 22;53(4):997-1006. doi: 10.1021/ci400066x. Epub 2013 Apr 3. J Chem Inf Model. 2013. PMID: 23521602

4

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: sun h. Mol Biosyst. 2013 Aug;9(8):2107-17. doi: 10.1039/c3mb70120d. Epub 2013 May 24. Mol Biosyst. 2013. PMID: 23702796

5

Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models.

Xu L, Sun H, Li Y, Wang J, Hou T. Xu L, et al. Among authors: sun h. J Phys Chem B. 2013 Jul 18;117(28):8408-21. doi: 10.1021/jp404160y. Epub 2013 Jul 8. J Phys Chem B. 2013. PMID: 23789789

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. 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: sun h. 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

ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates.

Li D, Chen L, Li Y, Tian S, Sun H, Hou T. Li D, et al. Among authors: sun h. Mol Pharm. 2014 Mar 3;11(3):716-26. doi: 10.1021/mp400450m. Epub 2014 Feb 18. Mol Pharm. 2014. PMID: 24499501

9

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.

Sun H, Li Y, Tian S, Xu L, Hou T. Sun H, et al. Phys Chem Chem Phys. 2014 Aug 21;16(31):16719-29. doi: 10.1039/c4cp01388c. Phys Chem Chem Phys. 2014. PMID: 24999761

10

P-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscape.

Sun H, Li Y, Tian S, Wang J, Hou T. Sun H, et al. PLoS Comput Biol. 2014 Jul 17;10(7):e1003729. doi: 10.1371/journal.pcbi.1003729. eCollection 2014 Jul. PLoS Comput Biol. 2014. PMID: 25033171 Free PMC article.

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