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Journal Abstract Search

159 related items for PubMed ID: 26958710

  • 1. 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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  • 2. Benchmarking the performance of MM/PBSA in virtual screening enrichment using the GPCR-Bench dataset.
    Yau MQ, Emtage AL, Loo JSE.
    J Comput Aided Mol Des; 2020 Nov 25; 34(11):1133-1145. PubMed ID: 32851579
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  • 3. Virtual Screening of Human Class-A GPCRs Using Ligand Profiles Built on Multiple Ligand-Receptor Interactions.
    Chan WKB, Zhang Y.
    J Mol Biol; 2020 Aug 07; 432(17):4872-4890. PubMed ID: 32652079
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  • 4. Docking and Virtual Screening Strategies for GPCR Drug Discovery.
    Beuming T, Lenselink B, Pala D, McRobb F, Repasky M, Sherman W.
    Methods Mol Biol; 2015 Aug 07; 1335():251-76. PubMed ID: 26260606
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  • 7. Benchmarking GPCR homology model template selection in combination with de novo loop generation.
    Szwabowski GL, Castleman PN, Sears CK, Wink LH, Cole JA, Baker DL, Parrill AL.
    J Comput Aided Mol Des; 2020 Oct 07; 34(10):1027-1044. PubMed ID: 32737667
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  • 11. LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening.
    Tran-Nguyen VK, Jacquemard C, Rognan D.
    J Chem Inf Model; 2020 Sep 28; 60(9):4263-4273. PubMed ID: 32282202
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  • 12. Novel approach for efficient pharmacophore-based virtual screening: method and applications.
    Dror O, Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ.
    J Chem Inf Model; 2009 Oct 28; 49(10):2333-43. PubMed ID: 19803502
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  • 13. Beware of machine learning-based scoring functions-on the danger of developing black boxes.
    Gabel J, Desaphy J, Rognan D.
    J Chem Inf Model; 2014 Oct 27; 54(10):2807-15. PubMed ID: 25207678
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  • 15. Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise.
    Politi R, Convertino M, Popov K, Dokholyan NV, Tropsha A.
    J Chem Inf Model; 2016 Jun 27; 56(6):1032-41. PubMed ID: 27050767
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  • 19. Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
    Forli S, Huey R, Pique ME, Sanner MF, Goodsell DS, Olson AJ.
    Nat Protoc; 2016 May 27; 11(5):905-19. PubMed ID: 27077332
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  • 20. Benchmarking sets for molecular docking.
    Huang N, Shoichet BK, Irwin JJ.
    J Med Chem; 2006 Nov 16; 49(23):6789-801. PubMed ID: 17154509
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