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Journal Abstract Search

166 related items for PubMed ID: 22569592

  • 1. Lead Finder docking and virtual screening evaluation with Astex and DUD test sets.
    Novikov FN, Stroylov VS, Zeifman AA, Stroganov OV, Kulkov V, Chilov GG.
    J Comput Aided Mol Des; 2012 Jun; 26(6):725-35. PubMed ID: 22569592
    [Abstract] [Full Text] [Related]

  • 2. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 3. Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide.
    Repasky MP, Murphy RB, Banks JL, Greenwood JR, Tubert-Brohman I, Bhat S, Friesner RA.
    J Comput Aided Mol Des; 2012 Jun; 26(6):787-99. PubMed ID: 22576241
    [Abstract] [Full Text] [Related]

  • 4. Docking and scoring with ICM: the benchmarking results and strategies for improvement.
    Neves MA, Totrov M, Abagyan R.
    J Comput Aided Mol Des; 2012 Jun; 26(6):675-86. PubMed ID: 22569591
    [Abstract] [Full Text] [Related]

  • 5. Evaluation of DOCK 6 as a pose generation and database enrichment tool.
    Brozell SR, Mukherjee S, Balius TE, Roe DR, Case DA, Rizzo RC.
    J Comput Aided Mol Des; 2012 Jun; 26(6):749-73. PubMed ID: 22569593
    [Abstract] [Full Text] [Related]

  • 6. Surflex-Dock: Docking benchmarks and real-world application.
    Spitzer R, Jain AN.
    J Comput Aided Mol Des; 2012 Jun; 26(6):687-99. PubMed ID: 22569590
    [Abstract] [Full Text] [Related]

  • 7. A critical assessment of docking programs and scoring functions.
    Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.
    J Med Chem; 2006 Oct 05; 49(20):5912-31. PubMed ID: 17004707
    [Abstract] [Full Text] [Related]

  • 8. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN, Abagyan RA.
    J Mol Biol; 2004 Mar 12; 337(1):209-25. PubMed ID: 15001363
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  • 10. PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.
    Kumar SP.
    J Mol Graph Model; 2018 Jan 12; 79():194-212. PubMed ID: 29241118
    [Abstract] [Full Text] [Related]

  • 11. Boosting Docking-Based Virtual Screening with Deep Learning.
    Pereira JC, Caffarena ER, Dos Santos CN.
    J Chem Inf Model; 2016 Dec 27; 56(12):2495-2506. PubMed ID: 28024405
    [Abstract] [Full Text] [Related]

  • 12. Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
    Ebejer JP, Finn PW, Wong WK, Deane CM, Morris GM.
    J Chem Inf Model; 2019 Jun 24; 59(6):2600-2616. PubMed ID: 31117509
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  • 14. Ligand-based virtual screening approach using a new scoring function.
    Hamza A, Wei NN, Zhan CG.
    J Chem Inf Model; 2012 Apr 23; 52(4):963-74. PubMed ID: 22486340
    [Abstract] [Full Text] [Related]

  • 15. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
    Cross JB, Thompson DC, Rai BK, Baber JC, Fan KY, Hu Y, Humblet C.
    J Chem Inf Model; 2009 Jun 23; 49(6):1455-74. PubMed ID: 19476350
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  • 18. A Comparison between Enrichment Optimization Algorithm (EOA)-Based and Docking-Based Virtual Screening.
    Spiegel J, Senderowitz H.
    Int J Mol Sci; 2021 Dec 21; 23(1):. PubMed ID: 35008467
    [Abstract] [Full Text] [Related]

  • 19. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA, Kramer C, Mozziconacci JC, Sherman W.
    J Chem Inf Model; 2014 Oct 27; 54(10):2697-717. PubMed ID: 25266271
    [Abstract] [Full Text] [Related]

  • 20. Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.
    Liebeschuetz JW, Cole JC, Korb O.
    J Comput Aided Mol Des; 2012 Jun 27; 26(6):737-48. PubMed ID: 22371207
    [Abstract] [Full Text] [Related]

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