Wang XS - Search Results

1

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.

Xia J, Tilahun EL, Reid TE, Zhang L, Wang XS. Xia J, et al. Among authors: wang xs. Methods. 2015 Jan;71:146-57. doi: 10.1016/j.ymeth.2014.11.015. Epub 2014 Dec 3. Methods. 2015. PMID: 25481478 Free PMC article.

2

Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?

Tang H, Wang XS, Hsieh JH, Tropsha A. Tang H, et al. Among authors: wang xs. Proteins. 2012 Jun;80(6):1503-21. doi: 10.1002/prot.24035. Epub 2012 Mar 13. Proteins. 2012. PMID: 22275072 Free PMC article.

3

Predictive in silico studies of human 5-hydroxytryptamine receptor subtype 2B (5-HT2B) and valvular heart disease.

Reid TE, Kumar K, Wang XS. Reid TE, et al. Among authors: wang xs. Curr Top Med Chem. 2013;13(11):1353-62. doi: 10.2174/15680266113139990039. Curr Top Med Chem. 2013. PMID: 23675941 Free PMC article. Review.

4

An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.

Xia J, Jin H, Liu Z, Zhang L, Wang XS. Xia J, et al. Among authors: wang xs. J Chem Inf Model. 2014 May 27;54(5):1433-50. doi: 10.1021/ci500062f. Epub 2014 May 1. J Chem Inf Model. 2014. PMID: 24749745 Free PMC article.

5

Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.

Xia J, Tilahun EL, Kebede EH, Reid TE, Zhang L, Wang XS. Xia J, et al. Among authors: wang xs. J Chem Inf Model. 2015 Feb 23;55(2):374-88. doi: 10.1021/ci5005515. Epub 2015 Feb 9. J Chem Inf Model. 2015. PMID: 25633490 Free PMC article.

6

Discovery of Natural Product-Derived 5-HT1A Receptor Binders by Cheminfomatics Modeling of Known Binders, High Throughput Screening and Experimental Validation.

Luo M, Reid TE, Wang XS. Luo M, et al. Among authors: wang xs. Comb Chem High Throughput Screen. 2015;18(7):685-92. doi: 10.2174/1386207318666150703113948. Comb Chem High Throughput Screen. 2015. PMID: 26138565 Free PMC article.

7

Discovery of a Novel HDAC2 Inhibitor by a Scaffold-Merging Hybrid Query.

Basant N, Lin X, Reid TE, Karla PK, Wang XS. Basant N, et al. Among authors: wang xs. Comb Chem High Throughput Screen. 2015;18(7):693-700. doi: 10.2174/1386207318666150706103918. Comb Chem High Throughput Screen. 2015. PMID: 26144283 Free PMC article.

8

A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors.

Hu H, Xia J, Wang D, Wang XS, Wu S. Hu H, et al. Among authors: wang xs, wang d. Int J Mol Sci. 2017 Jan 18;18(1):137. doi: 10.3390/ijms18010137. Int J Mol Sci. 2017. PMID: 28106794 Free PMC article.

9

The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.

Xia J, Hsieh JH, Hu H, Wu S, Wang XS. Xia J, et al. Among authors: wang xs. J Chem Inf Model. 2017 Jun 26;57(6):1414-1425. doi: 10.1021/acs.jcim.6b00749. Epub 2017 Jun 1. J Chem Inf Model. 2017. PMID: 28511009 Free PMC article.

10

Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors.

Xia J, Feng B, Shao Q, Yuan Y, Wang XS, Chen N, Wu S. Xia J, et al. Among authors: wang xs. Molecules. 2017 Jun 21;22(6):1029. doi: 10.3390/molecules22061029. Molecules. 2017. PMID: 28635653 Free PMC article.

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