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Journal Abstract Search

418 related items for PubMed ID: 31284868

  • 41. Insight into the selective mechanism of phosphoinositide 3-kinase γ with benzothiazole and thiazolopiperidine γ-specific inhibitors by in silico approaches.
    Zhu J, Li K, Xu L, Jin J.
    Chem Biol Drug Des; 2019 May; 93(5):818-831. PubMed ID: 30582283
    [Abstract] [Full Text] [Related]

  • 42. Identification of triazolo[4,5-b]pyrazine derivatives as hepatocyte growth factor receptor inhibitors through structure-activity relationships and molecular docking simulations.
    Dong M, Ren Y, Gao X.
    Bioorg Med Chem Lett; 2015 Oct 01; 25(19):4118-26. PubMed ID: 26321362
    [Abstract] [Full Text] [Related]

  • 43. Investigation of the bindings of a class of inhibitors with GSK3β kinase using thermodynamic integration MD simulation and kinase assay.
    Hsu CJ, Hsu WC, Lee DJ, Liu AL, Chang CM, Shih HJ, Huang WH, Lee-Chen GJ, Hsieh-Li HM, Lee GC, Sun YC.
    Chem Biol Drug Des; 2017 Aug 01; 90(2):272-281. PubMed ID: 28127860
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  • 44. Molecular simulation studies on the binding selectivity of 2-anilino-4-(thiazol-5-yl)-pyrimidines in complexes with CDK2 and CDK7.
    Chohan TA, Qian HY, Pan YL, Chen JZ.
    Mol Biosyst; 2016 Jan 01; 12(1):145-61. PubMed ID: 26565382
    [Abstract] [Full Text] [Related]

  • 45. An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors.
    Li Y, Gao W, Li F, Wang J, Zhang J, Yang Y, Zhang S, Yang L.
    Mol Biosyst; 2013 Sep 01; 9(9):2266-81. PubMed ID: 23864105
    [Abstract] [Full Text] [Related]

  • 46. Studying the Binding Modes of Novel 2-Aminopyridine Derivatives as Effective and Selective c-Met Kinase Type 1 Inhibitors Using Molecular Modeling Approaches.
    Ye Q, Fu C, Li J.
    Molecules; 2020 Dec 24; 26(1):. PubMed ID: 33374386
    [Abstract] [Full Text] [Related]

  • 47. Molecular dynamics simulation, free energy calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors.
    Yang Y, Qin J, Liu H, Yao X.
    J Chem Inf Model; 2011 Mar 28; 51(3):680-92. PubMed ID: 21338122
    [Abstract] [Full Text] [Related]

  • 48. Exploring the interaction between human focal adhesion kinase and inhibitors: a molecular dynamic simulation and free energy calculations.
    Zhan JY, Zhang JL, Wang Y, Li Y, Zhang HX, Zheng QC.
    J Biomol Struct Dyn; 2016 Nov 28; 34(11):2351-66. PubMed ID: 26549408
    [Abstract] [Full Text] [Related]

  • 49. Design of Novel IRAK4 Inhibitors Using Molecular Docking, Dynamics Simulation and 3D-QSAR Studies.
    Bhujbal SP, He W, Hah JM.
    Molecules; 2022 Sep 24; 27(19):. PubMed ID: 36234844
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  • 52. Structural features underlying selective inhibition of GSK3β by dibromocantharelline: implications for rational drug design.
    Zhang N, Zhong R, Yan H, Jiang Y.
    Chem Biol Drug Des; 2011 Mar 24; 77(3):199-205. PubMed ID: 21244636
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  • 53. Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods.
    Balupuri A, Balasubramanian PK, Cho SJ.
    Curr Comput Aided Drug Des; 2016 Mar 24; 12(4):302-313. PubMed ID: 27585602
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  • 54. 3D-QSAR analysis on ATR protein kinase inhibitors using CoMFA and CoMSIA.
    Li X, Shu M, Wang Y, Yu R, Yao S, Lin Z.
    Curr Comput Aided Drug Des; 2014 Mar 24; 10(4):327-34. PubMed ID: 25994639
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  • 55. Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors.
    Tian Y, Xu J, Li Z, Zhu Z, Zhang J, Wu S.
    Int J Mol Sci; 2011 Mar 24; 12(8):5080-97. PubMed ID: 21954347
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  • 57. Using thermodynamic integration MD simulation to compute relative protein-ligand binding free energy of a GSK3β kinase inhibitor and its analogs.
    Lee HC, Hsu WC, Liu AL, Hsu CJ, Sun YC.
    J Mol Graph Model; 2014 Jun 24; 51():37-49. PubMed ID: 24858254
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