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Journal Abstract Search

157 related items for PubMed ID: 29036579

  • 1. HybridSim-VS: a web server for large-scale ligand-based virtual screening using hybrid similarity recognition techniques.
    Shang J, Dai X, Li Y, Pistolozzi M, Wang L.
    Bioinformatics; 2017 Nov 01; 33(21):3480-3481. PubMed ID: 29036579
    [Abstract] [Full Text] [Related]

  • 2. RADER: a RApid DEcoy Retriever to facilitate decoy based assessment of virtual screening.
    Wang L, Pang X, Li Y, Zhang Z, Tan W.
    Bioinformatics; 2017 Apr 15; 33(8):1235-1237. PubMed ID: 28011765
    [Abstract] [Full Text] [Related]

  • 3. Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening.
    Hu G, Kuang G, Xiao W, Li W, Liu G, Tang Y.
    J Chem Inf Model; 2012 May 25; 52(5):1103-13. PubMed ID: 22551340
    [Abstract] [Full Text] [Related]

  • 4. A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening.
    Jiang Z, Xu J, Yan A, Wang L.
    Brief Bioinform; 2021 Nov 05; 22(6):. PubMed ID: 34151363
    [Abstract] [Full Text] [Related]

  • 5. USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques.
    Li H, Leung KS, Wong MH, Ballester PJ.
    Nucleic Acids Res; 2016 Jul 08; 44(W1):W436-41. PubMed ID: 27106057
    [Abstract] [Full Text] [Related]

  • 6. LigMatch: a multiple structure-based ligand matching method for 3D virtual screening.
    Kinnings SL, Jackson RM.
    J Chem Inf Model; 2009 Sep 08; 49(9):2056-66. PubMed ID: 19685924
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN, Hamza A.
    J Chem Inf Model; 2014 Jan 27; 54(1):338-46. PubMed ID: 24328054
    [Abstract] [Full Text] [Related]

  • 9. Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17.
    Awale M, Reymond JL.
    J Chem Inf Model; 2014 Jul 28; 54(7):1892-907. PubMed ID: 24988038
    [Abstract] [Full Text] [Related]

  • 10. SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening.
    Zoete V, Daina A, Bovigny C, Michielin O.
    J Chem Inf Model; 2016 Aug 22; 56(8):1399-404. PubMed ID: 27391578
    [Abstract] [Full Text] [Related]

  • 11. LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
    Hu J, Liu Z, Yu DJ, Zhang Y.
    Bioinformatics; 2018 Jul 01; 34(13):2209-2218. PubMed ID: 29462237
    [Abstract] [Full Text] [Related]

  • 12. Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
    Awale M, Jin X, Reymond JL.
    J Cheminform; 2015 Jul 01; 7():3. PubMed ID: 25750664
    [Abstract] [Full Text] [Related]

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  • 14. An efficient multistep ligand-based virtual screening approach for GPR40 agonists.
    Yao S, Lu T, Zhou Z, Liu H, Yuan H, Ran T, Lu S, Zhang Y, Ke Z, Xu J, Xiong X, Chen Y.
    Mol Divers; 2014 Feb 01; 18(1):183-93. PubMed ID: 24307222
    [Abstract] [Full Text] [Related]

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  • 16. ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.
    Gong J, Cai C, Liu X, Ku X, Jiang H, Gao D, Li H.
    Bioinformatics; 2013 Jul 15; 29(14):1827-9. PubMed ID: 23712658
    [Abstract] [Full Text] [Related]

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  • 18. SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules.
    Schwartz J, Awale M, Reymond JL.
    J Chem Inf Model; 2013 Aug 26; 53(8):1979-89. PubMed ID: 23845040
    [Abstract] [Full Text] [Related]

  • 19. mRAISE: an alternative algorithmic approach to ligand-based virtual screening.
    von Behren MM, Bietz S, Nittinger E, Rarey M.
    J Comput Aided Mol Des; 2016 Aug 26; 30(8):583-94. PubMed ID: 27565795
    [Abstract] [Full Text] [Related]

  • 20. Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment.
    Giganti D, Guillemain H, Spadoni JL, Nilges M, Zagury JF, Montes M.
    J Chem Inf Model; 2010 Jun 28; 50(6):992-1004. PubMed ID: 20527883
    [Abstract] [Full Text] [Related]

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