Hou T - Search Results

1

Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems.

Zhao Y, Zhang J, Zhang H, Gu S, Deng Y, Tu Y, Hou T, Kang Y. Zhao Y, et al. Among authors: hou t. J Phys Chem Lett. 2023 Feb 2;14(4):1103-1112. doi: 10.1021/acs.jpclett.2c03688. Epub 2023 Jan 26. J Phys Chem Lett. 2023. PMID: 36700836

2

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: hou t. 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

3

Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling.

Duan M, Liu N, Zhou W, Li D, Yang M, Hou T. Duan M, et al. Among authors: hou t. J Chem Theory Comput. 2016 Sep 13;12(9):4611-9. doi: 10.1021/acs.jctc.6b00424. Epub 2016 Sep 1. J Chem Theory Comput. 2016. PMID: 27560203

4

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: hou t. Mol Pharm. 2017 Jul 3;14(7):2407-2421. doi: 10.1021/acs.molpharmaceut.7b00317. Epub 2017 Jun 21. Mol Pharm. 2017. PMID: 28595388

5

Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches.

Sun H, Li Y, Shen M, Li D, Kang Y, Hou T. Sun H, et al. Among authors: hou t. J Chem Inf Model. 2017 Aug 28;57(8):1895-1906. doi: 10.1021/acs.jcim.7b00075. Epub 2017 Aug 11. J Chem Inf Model. 2017. PMID: 28749138

6

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: hou t. Mol Pharm. 2017 Nov 6;14(11):3935-3953. doi: 10.1021/acs.molpharmaceut.7b00631. Epub 2017 Oct 27. Mol Pharm. 2017. PMID: 29037046

7

HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.

Feng T, Chen F, Kang Y, Sun H, Liu H, Li D, Zhu F, Hou T. Feng T, et al. Among authors: hou t. J Cheminform. 2017 Dec 28;9(1):66. doi: 10.1186/s13321-017-0254-7. J Cheminform. 2017. PMID: 29282565 Free PMC article.

8

Benchmark Study Based on 2P2I_DB to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors.

Wang Z, Kang Y, Li D, Sun H, Dong X, Yao X, Xu L, Chang S, Li Y, Hou T. Wang Z, et al. Among authors: hou t. J Phys Chem B. 2018 Mar 8;122(9):2544-2555. doi: 10.1021/acs.jpcb.7b12658. Epub 2018 Feb 22. J Phys Chem B. 2018. PMID: 29420886

9

farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.

Wang Z, Wang X, Li Y, Lei T, Wang E, Li D, Kang Y, Zhu F, Hou T. Wang Z, et al. Among authors: hou t. Bioinformatics. 2019 May 15;35(10):1777-1779. doi: 10.1093/bioinformatics/bty879. Bioinformatics. 2019. PMID: 30329012

10

Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study.

Xie T , Yu J , Fu W , Wang Z , Xu L , Chang S , Wang E , Zhu F , Zeng S , Kang Y , Hou T . Xie T , et al. Among authors: hou t. Phys Chem Chem Phys. 2019 Jun 28;21(24):12931-12947. doi: 10.1039/c9cp02024a. Epub 2019 Jun 5. Phys Chem Chem Phys. 2019. PMID: 31165133

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