Hsieh JH - Search Results

1

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: hsieh jh. Proteins. 2012 Jun;80(6):1503-21. doi: 10.1002/prot.24035. Epub 2012 Mar 13. Proteins. 2012. PMID: 22275072 Free PMC article.

2

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.

Hsieh JH, Wang XS, Teotico D, Golbraikh A, Tropsha A. Hsieh JH, et al. J Comput Aided Mol Des. 2008 Sep;22(9):593-609. doi: 10.1007/s10822-008-9199-2. Epub 2008 Mar 13. J Comput Aided Mol Des. 2008. PMID: 18338225

3

Combined application of cheminformatics- and physical force field-based scoring functions improves binding affinity prediction for CSAR data sets.

Hsieh JH, Yin S, Liu S, Sedykh A, Dokholyan NV, Tropsha A. Hsieh JH, et al. J Chem Inf Model. 2011 Sep 26;51(9):2027-35. doi: 10.1021/ci200146e. Epub 2011 Aug 30. J Chem Inf Model. 2011. PMID: 21780807 Free PMC article.

4

Cheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screening.

Hsieh JH, Yin S, Wang XS, Liu S, Dokholyan NV, Tropsha A. Hsieh JH, et al. J Chem Inf Model. 2012 Jan 23;52(1):16-28. doi: 10.1021/ci2002507. Epub 2011 Dec 14. J Chem Inf Model. 2012. PMID: 22017385 Free PMC article.

5

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: hsieh jh. 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.

6

Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.

Xia J, Wang Z, Huan Y, Xue W, Wang X, Wang Y, Liu Z, Hsieh JH, Zhang L, Wu S, Shen Z, Zhang H, Wang XS. Xia J, et al. Among authors: hsieh jh. J Chem Inf Model. 2020 Mar 23;60(3):1202-1214. doi: 10.1021/acs.jcim.9b01030. Epub 2020 Feb 25. J Chem Inf Model. 2020. PMID: 32050066

7

Structure-based virtual screening and biological evaluation of novel small-molecule BTK inhibitors.

Lin TE, Sung LC, Chao MW, Li M, Zheng JH, Sung TY, Hsieh JH, Yang CR, Lee HY, Cho EC, Hsu KC. Lin TE, et al. Among authors: hsieh jh. J Enzyme Inhib Med Chem. 2022 Dec;37(1):226-235. doi: 10.1080/14756366.2021.1999237. J Enzyme Inhib Med Chem. 2022. PMID: 34894949 Free PMC article.

8

Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway.

Huang R, Sakamuru S, Martin MT, Reif DM, Judson RS, Houck KA, Casey W, Hsieh JH, Shockley KR, Ceger P, Fostel J, Witt KL, Tong W, Rotroff DM, Zhao T, Shinn P, Simeonov A, Dix DJ, Austin CP, Kavlock RJ, Tice RR, Xia M. Huang R, et al. Among authors: hsieh jh. Sci Rep. 2014 Jul 11;4:5664. doi: 10.1038/srep05664. Sci Rep. 2014. PMID: 25012808 Free PMC article.

9

Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity.

Mansouri K, Taylor K, Auerbach S, Ferguson S, Frawley R, Hsieh JH, Jahnke G, Kleinstreuer N, Mehta S, Moreira-Filho JT, Parham F, Rider C, Rooney AA, Wang A, Sutherland V. Mansouri K, et al. Among authors: hsieh jh. Environ Health Perspect. 2024 Aug;132(8):85002. doi: 10.1289/EHP14001. Epub 2024 Aug 6. Environ Health Perspect. 2024. PMID: 39106156 Free PMC article.

10

An ensemble machine learning model generates a focused screening library for the identification of CDK8 inhibitors.

Lin TE, Yen D, HuangFu WC, Wu YW, Hsu JY, Yen SC, Sung TY, Hsieh JH, Pan SL, Yang CR, Huang WJ, Hsu KC. Lin TE, et al. Among authors: hsieh jh. Protein Sci. 2024 Jun;33(6):e5007. doi: 10.1002/pro.5007. Protein Sci. 2024. PMID: 38723187 Free PMC article.

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