Yang Z - Search Results

1

The stabilization effect of dielectric constant and acidic amino acids on arginine-arginine (Arg-Arg) pairings: database survey and computational studies.

Zhang Z, Xu Z, Yang Z, Liu Y, Wang J, Shao Q, Li S, Lu Y, Zhu W. Zhang Z, et al. Among authors: yang z. J Phys Chem B. 2013 May 2;117(17):4827-35. doi: 10.1021/jp4001658. Epub 2013 Apr 12. J Phys Chem B. 2013. PMID: 23581492

2

Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design?

Yang Y, Xu Z, Zhang Z, Yang Z, Liu Y, Wang J, Cai T, Li S, Chen K, Shi J, Zhu W. Yang Y, et al. Among authors: yang z. J Phys Chem B. 2015 Sep 10;119(36):11988-97. doi: 10.1021/acs.jpcb.5b04130. Epub 2015 Aug 28. J Phys Chem B. 2015. PMID: 26287988

3

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

Wang J, Shao Q, Xu Z, Liu Y, Yang Z, Cossins BP, Jiang H, Chen K, Shi J, Zhu W. Wang J, et al. Among authors: yang z. J Phys Chem B. 2014 Jan 9;118(1):134-43. doi: 10.1021/jp4105129. Epub 2013 Dec 26. J Phys Chem B. 2014. PMID: 24350625

4

Unstable, metastable, or stable halogen bonding interaction involving negatively charged donors? A statistical and computational chemistry study.

Yang Z, Xu Z, Liu Y, Wang J, Shi J, Chen K, Zhu W. Yang Z, et al. J Phys Chem B. 2014 Dec 11;118(49):14223-33. doi: 10.1021/jp506291v. Epub 2014 Nov 25. J Phys Chem B. 2014. PMID: 25390886

5

Halogen bond: its role beyond drug-target binding affinity for drug discovery and development.

Xu Z, Yang Z, Liu Y, Lu Y, Chen K, Zhu W. Xu Z, et al. Among authors: yang z. J Chem Inf Model. 2014 Jan 27;54(1):69-78. doi: 10.1021/ci400539q. Epub 2014 Jan 6. J Chem Inf Model. 2014. PMID: 24372485

6

A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions.

Liu Y, Xu Z, Yang Z, Chen K, Zhu W. Liu Y, et al. Among authors: yang z. J Mol Model. 2013 Nov;19(11):5015-30. doi: 10.1007/s00894-013-2005-7. Epub 2013 Sep 27. J Mol Model. 2013. PMID: 24072554

7

Combined Virtual Screening and Substructure Search for Discovery of Novel FABP4 Inhibitors.

Cai H, Wang T, Yang Z, Xu Z, Wang G, Wang HY, Zhu W, Chen K. Cai H, et al. Among authors: yang z. J Chem Inf Model. 2017 Sep 25;57(9):2329-2335. doi: 10.1021/acs.jcim.7b00364. Epub 2017 Aug 29. J Chem Inf Model. 2017. PMID: 28810126

8

Multi-algorithm and multi-model based drug target prediction and web server.

Liu YT, Li Y, Huang ZF, Xu ZJ, Yang Z, Chen ZX, Chen KX, Shi JY, Zhu WL. Liu YT, et al. Among authors: yang z. Acta Pharmacol Sin. 2014 Mar;35(3):419-31. doi: 10.1038/aps.2013.153. Epub 2014 Feb 3. Acta Pharmacol Sin. 2014. PMID: 24487966 Free PMC article.

9

A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.

Yang Z, Liu Y, Chen Z, Xu Z, Shi J, Chen K, Zhu W. Yang Z, et al. J Mol Model. 2015 Jun;21(6):138. doi: 10.1007/s00894-015-2681-6. Epub 2015 May 10. J Mol Model. 2015. PMID: 25957658

10

Key targets and relevant inhibitors for the drug discovery of tuberculosis.

Xiong X, Xu Z, Yang Z, Liu Y, Wang D, Dong M, Parker EJ, Zhu W. Xiong X, et al. Among authors: yang z. Curr Drug Targets. 2013 Jun 1;14(6):676-99. doi: 10.2174/1389450111314060009. Curr Drug Targets. 2013. PMID: 23547780 Review.

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