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Journal Abstract Search

185 related items for PubMed ID: 25116840

  • 1. Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.
    Da C, Kireev D.
    J Chem Inf Model; 2014 Sep 22; 54(9):2555-61. PubMed ID: 25116840
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  • 2. Protein-Ligand Empirical Interaction Components for Virtual Screening.
    Yan Y, Wang W, Sun Z, Zhang JZH, Ji C.
    J Chem Inf Model; 2017 Aug 28; 57(8):1793-1806. PubMed ID: 28678484
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  • 3. Discovery of Mer kinase inhibitors by virtual screening using Structural Protein-Ligand Interaction Fingerprints.
    Da C, Stashko M, Jayakody C, Wang X, Janzen W, Frye S, Kireev D.
    Bioorg Med Chem; 2015 Mar 01; 23(5):1096-101. PubMed ID: 25638502
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  • 9. 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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  • 10. FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approach.
    Zhou H, Skolnick J.
    J Chem Inf Model; 2013 Jan 28; 53(1):230-40. PubMed ID: 23240691
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  • 19. Can the energy gap in the protein-ligand binding energy landscape be used as a descriptor in virtual ligand screening?
    Grigoryan AV, Wang H, Cardozo TJ.
    PLoS One; 2012 Jan 28; 7(10):e46532. PubMed ID: 23071584
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