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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

142 related items for PubMed ID: 21774552

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  • 3. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X, Wong SE, Lightstone FC.
    J Chem Inf Model; 2014 Jan 27; 54(1):324-37. PubMed ID: 24358939
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  • 5. GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking.
    Weiss DR, Bortolato A, Tehan B, Mason JS.
    J Chem Inf Model; 2016 Apr 25; 56(4):642-51. PubMed ID: 26958710
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  • 8. Cross-docking benchmark for automated pose and ranking prediction of ligand binding.
    Wierbowski SD, Wingert BM, Zheng J, Camacho CJ.
    Protein Sci; 2020 Jan 25; 29(1):298-305. PubMed ID: 31721338
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  • 11. Generating property-matched decoy molecules using deep learning.
    Imrie F, Bradley AR, Deane CM.
    Bioinformatics; 2021 Aug 09; 37(15):2134-2141. PubMed ID: 33532838
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  • 13. Docking, virtual high throughput screening and in silico fragment-based drug design.
    Zoete V, Grosdidier A, Michielin O.
    J Cell Mol Med; 2009 Feb 09; 13(2):238-48. PubMed ID: 19183238
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  • 14. Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.
    Venkatraman V, Pérez-Nueno VI, Mavridis L, Ritchie DW.
    J Chem Inf Model; 2010 Dec 27; 50(12):2079-93. PubMed ID: 21090728
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  • 16. 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.
    J Chem Inf Model; 2017 Jun 26; 57(6):1414-1425. PubMed ID: 28511009
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  • 17. Normalizing molecular docking rankings using virtually generated decoys.
    Wallach I, Jaitly N, Nguyen K, Schapira M, Lilien R.
    J Chem Inf Model; 2011 Aug 22; 51(8):1817-30. PubMed ID: 21699246
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  • 20. Theoretical and practical considerations in virtual screening: a beaten field?
    Kontoyianni M, Madhav P, Suchanek E, Seibel W.
    Curr Med Chem; 2008 Aug 22; 15(2):107-16. PubMed ID: 18220766
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