Hou T - Search Results

1

Beware of the generic machine learning-based scoring functions in structure-based virtual screening.

Shen C, Hu Y, Wang Z, Zhang X, Pang J, Wang G, Zhong H, Xu L, Cao D, Hou T. Shen C, et al. Among authors: hou t. Brief Bioinform. 2021 May 20;22(3):bbaa070. doi: 10.1093/bib/bbaa070. Brief Bioinform. 2021. PMID: 32484221

2

Understanding microscopic binding of macrophage migration inhibitory factor with phenolic hydrazones by molecular docking, molecular dynamics simulations and free energy calculations.

Xu L, Li Y, Li L, Zhou S, Hou T. Xu L, et al. Among authors: hou t. Mol Biosyst. 2012 Sep;8(9):2260-73. doi: 10.1039/c2mb25146a. Epub 2012 Jun 28. Mol Biosyst. 2012. PMID: 22739754

3

Recent developments in computational prediction of HERG blockage.

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

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

5

Discovery of novel inhibitors targeting the macrophage migration inhibitory factor via structure-based virtual screening and bioassays.

Xu L, Zhang Y, Zheng L, Qiao C, Li Y, Li D, Zhen X, Hou T. Xu L, et al. Among authors: hou t. J Med Chem. 2014 May 8;57(9):3737-45. doi: 10.1021/jm401908w. Epub 2014 Apr 23. J Med Chem. 2014. PMID: 24712915

6

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. Among authors: hou t. Phys Chem Chem Phys. 2014 Aug 21;16(31):16719-29. doi: 10.1039/c4cp01388c. Phys Chem Chem Phys. 2014. PMID: 24999761

7

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring.

Sun H, Li Y, Shen M, Tian S, Xu L, Pan P, Guan Y, Hou T. Sun H, et al. Among authors: hou t. Phys Chem Chem Phys. 2014 Oct 28;16(40):22035-45. doi: 10.1039/c4cp03179b. Epub 2014 Sep 10. Phys Chem Chem Phys. 2014. PMID: 25205360

8

The application of in silico drug-likeness predictions in pharmaceutical research.

Tian S, Wang J, Li Y, Li D, Xu L, Hou T. Tian S, et al. Among authors: hou t. Adv Drug Deliv Rev. 2015 Jun 23;86:2-10. doi: 10.1016/j.addr.2015.01.009. Epub 2015 Feb 7. Adv Drug Deliv Rev. 2015. PMID: 25666163 Review.

9

Binding mechanisms of 1,4-dihydropyridine derivatives to L-type calcium channel Cav1.2: a molecular modeling study.

Xu L, Li D, Tao L, Yang Y, Li Y, Hou T. Xu L, et al. Among authors: hou t. Mol Biosyst. 2016 Feb;12(2):379-90. doi: 10.1039/c5mb00781j. Mol Biosyst. 2016. PMID: 26673131

10

Recent Advances in Protein-Protein Docking.

Zhang Q, Feng T, Xu L, Sun H, Pan P, Li Y, Li D, Hou T. Zhang Q, et al. Among authors: hou t. Curr Drug Targets. 2016;17(14):1586-1594. doi: 10.2174/1389450117666160112112640. Curr Drug Targets. 2016. PMID: 26758670 Review.

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