Liu H - Search Results

1

ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity.

Lei T, Chen F, Liu H, Sun H, Kang Y, Li D, Li Y, Hou T. Lei T, et al. Among authors: liu h. Mol Pharm. 2017 Jul 3;14(7):2407-2421. doi: 10.1021/acs.molpharmaceut.7b00317. Epub 2017 Jun 21. Mol Pharm. 2017. PMID: 28595388

2

Exploring the binding mechanisms of MIF to CXCR2 using theoretical approaches.

Xu L, Li Y, Li D, Xu P, Tian S, Sun H, Liu H, Hou T. Xu L, et al. Among authors: liu h. Phys Chem Chem Phys. 2015 Feb 7;17(5):3370-82. doi: 10.1039/c4cp05095a. Epub 2014 Dec 19. Phys Chem Chem Phys. 2015. PMID: 25526079

3

CaFE: a tool for binding affinity prediction using end-point free energy methods.

Liu H, Hou T. Liu H, et al. Bioinformatics. 2016 Jul 15;32(14):2216-8. doi: 10.1093/bioinformatics/btw215. Epub 2016 Apr 22. Bioinformatics. 2016. PMID: 27153651

4

ADMET Evaluation in Drug Discovery. 16. Predicting hERG Blockers by Combining Multiple Pharmacophores and Machine Learning Approaches.

Wang S, Sun H, Liu H, Li D, Li Y, Hou T. Wang S, et al. Among authors: liu h. Mol Pharm. 2016 Aug 1;13(8):2855-66. doi: 10.1021/acs.molpharmaceut.6b00471. Epub 2016 Jul 18. Mol Pharm. 2016. PMID: 27379394

5

Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.

Chen F, Liu H, Sun H, Pan P, Li Y, Li D, Hou T. Chen F, et al. Among authors: liu h. Phys Chem Chem Phys. 2016 Aug 10;18(32):22129-39. doi: 10.1039/c6cp03670h. Phys Chem Chem Phys. 2016. PMID: 27444142

6

In Silico Exploration for Novel Type-I Inhibitors of Tie-2/TEK: The Performance of Different Selection Strategy in Selecting Virtual Screening Candidates.

Pan P, Sun H, Liu H, Li D, Zhou W, Kong X, Li Y, Yu H, Hou T. Pan P, et al. Among authors: liu h. Sci Rep. 2016 Nov 23;6:37628. doi: 10.1038/srep37628. Sci Rep. 2016. PMID: 27876862 Free PMC article.

7

Improving the Efficiency of Non-equilibrium Sampling in the Aqueous Environment via Implicit-Solvent Simulations.

Liu H, Chen F, Sun H, Li D, Hou T. Liu H, et al. J Chem Theory Comput. 2017 Apr 11;13(4):1827-1836. doi: 10.1021/acs.jctc.6b01139. Epub 2017 Mar 23. J Chem Theory Comput. 2017. PMID: 28297603

8

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: liu h. Phys Chem Chem Phys. 2017 Apr 12;19(15):10163-10176. doi: 10.1039/c6cp08232g. Phys Chem Chem Phys. 2017. PMID: 28374029

9

ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches.

Lei T, Sun H, Kang Y, Zhu F, Liu H, Zhou W, Wang Z, Li D, Li Y, Hou T. Lei T, et al. Among authors: liu h. Mol Pharm. 2017 Nov 6;14(11):3935-3953. doi: 10.1021/acs.molpharmaceut.7b00631. Epub 2017 Oct 27. Mol Pharm. 2017. PMID: 29037046

10

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

Shang J, Sun H, Liu H, Chen F, Tian S, Pan P, Li D, Kong D, Hou T. Shang J, et al. Among authors: liu h. J Cheminform. 2017 Apr 21;9(1):25. doi: 10.1186/s13321-017-0212-4. J Cheminform. 2017. PMID: 29086044 Free PMC article.

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