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Journal Abstract Search

277 related items for PubMed ID: 29594770

  • 41. Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands.
    Pérez GM, Salomón LA, Montero-Cabrera LA, de la Vega JM, Mascini M.
    Mol Divers; 2016 May; 20(2):421-38. PubMed ID: 26553204
    [Abstract] [Full Text] [Related]

  • 42. Structure-based drug screening and ligand-based drug screening with machine learning.
    Fukunishi Y.
    Comb Chem High Throughput Screen; 2009 May; 12(4):397-408. PubMed ID: 19442067
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  • 43. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.
    Kellenberger E, Foata N, Rognan D.
    J Chem Inf Model; 2008 May; 48(5):1014-25. PubMed ID: 18412328
    [Abstract] [Full Text] [Related]

  • 44. FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules.
    Zhou H, Cao H, Skolnick J.
    J Chem Inf Model; 2018 Nov 26; 58(11):2343-2354. PubMed ID: 30278128
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  • 45. 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 26; 49(6):1455-74. PubMed ID: 19476350
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  • 46. 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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  • 47. Machine learning in computational docking.
    Khamis MA, Gomaa W, Ahmed WF.
    Artif Intell Med; 2015 Mar 12; 63(3):135-52. PubMed ID: 25724101
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  • 48. Beyond the virtual screening paradigm: structure-based searching for new lead compounds.
    Schlosser J, Rarey M.
    J Chem Inf Model; 2009 Apr 12; 49(4):800-9. PubMed ID: 19354328
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  • 49. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
    Evers A, Hessler G, Matter H, Klabunde T.
    J Med Chem; 2005 Aug 25; 48(17):5448-65. PubMed ID: 16107144
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  • 50. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
    Virtanen SI, Pentikäinen OT.
    J Chem Inf Model; 2010 Jun 28; 50(6):1005-11. PubMed ID: 20504004
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  • 51. Function and structure-based screening of compounds, peptides and proteins to identify drug candidates.
    Malik V, Dhanjal JK, Kumari A, Radhakrishnan N, Singh K, Sundar D.
    Methods; 2017 Dec 01; 131():10-21. PubMed ID: 28843611
    [Abstract] [Full Text] [Related]

  • 52. Virtual fragment screening: discovery of histamine H3 receptor ligands using ligand-based and protein-based molecular fingerprints.
    Sirci F, Istyastono EP, Vischer HF, Kooistra AJ, Nijmeijer S, Kuijer M, Wijtmans M, Mannhold R, Leurs R, de Esch IJ, de Graaf C.
    J Chem Inf Model; 2012 Dec 21; 52(12):3308-24. PubMed ID: 23140085
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  • 53. Logistic Regression Method for Ligand Discovery.
    Chen C, Wang H.
    J Comput Biol; 2020 Jun 21; 27(6):934-940. PubMed ID: 31545095
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  • 54. Docking, virtual high throughput screening and in silico fragment-based drug design.
    Zoete V, Grosdidier A, Michielin O.
    J Cell Mol Med; 2009 Feb 21; 13(2):238-48. PubMed ID: 19183238
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  • 55. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Feb 21; 45(5):1313-23. PubMed ID: 16180908
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  • 56. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 21; 12 Suppl 1():S101-18. PubMed ID: 17935268
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  • 57. Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.
    Coudrat T, Simms J, Christopoulos A, Wootten D, Sexton PM.
    PLoS Comput Biol; 2017 Nov 21; 13(11):e1005819. PubMed ID: 29131821
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  • 58. Modeling and Deorphanization of Orphan GPCRs.
    Diaz C, Angelloz-Nicoud P, Pihan E.
    Methods Mol Biol; 2018 Nov 21; 1705():413-429. PubMed ID: 29188576
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  • 59. DiSCuS: an open platform for (not only) virtual screening results management.
    Wójcikowski M, Zielenkiewicz P, Siedlecki P.
    J Chem Inf Model; 2014 Jan 27; 54(1):347-54. PubMed ID: 24364790
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  • 60. Computational study on new natural compound agonists of stimulator of interferon genes (STING).
    Zhong S, Li W, Bai Y, Wu B, Wang X, Jiang S, Zhao Y, Ren J, Li H, Jin R.
    PLoS One; 2019 Jan 27; 14(5):e0216678. PubMed ID: 31120925
    [Abstract] [Full Text] [Related]

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