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Journal Abstract Search

105 related items for PubMed ID: 21409189

  • 1. Dissection of the difference between the group I metal ions in inhibiting GSK3β: a computational study.
    Lu SY, Jiang YJ, Zou JW, Wu TX.
    Phys Chem Chem Phys; 2011 Apr 21; 13(15):7014-23. PubMed ID: 21409189
    [Abstract] [Full Text] [Related]

  • 2. How calcium inhibits the magnesium-dependent kinase gsk3β: a molecular simulation study.
    Lu SY, Huang ZM, Huang WK, Liu XY, Chen YY, Shi T, Zhang J.
    Proteins; 2013 May 21; 81(5):740-53. PubMed ID: 23184735
    [Abstract] [Full Text] [Related]

  • 3. Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity.
    Arfeen M, Patel R, Khan T, Bharatam PV.
    J Biomol Struct Dyn; 2015 May 21; 33(12):2578-93. PubMed ID: 26209183
    [Abstract] [Full Text] [Related]

  • 4. Mechanism of kinase inactivation and nonbinding of FRATide to GSK3β due to K85M mutation: molecular dynamics simulation and normal mode analysis.
    Lu S, Jiang Y, Lv J, Zou J, Wu T.
    Biopolymers; 2011 Oct 21; 95(10):669-81. PubMed ID: 21442609
    [Abstract] [Full Text] [Related]

  • 5. Molecular modeling and molecular dynamics simulation studies of the GSK3β/ATP/substrate complex: understanding the unique P+4 primed phosphorylation specificity for GSK3β substrates.
    Lu SY, Jiang YJ, Zou JW, Wu TX.
    J Chem Inf Model; 2011 May 23; 51(5):1025-36. PubMed ID: 21495724
    [Abstract] [Full Text] [Related]

  • 6. Role of bridging water molecules in GSK3β-inhibitor complexes: insights from QM/MM, MD, and molecular docking studies.
    Lu SY, Jiang YJ, Lv J, Zou JW, Wu TX.
    J Comput Chem; 2011 Jul 15; 32(9):1907-18. PubMed ID: 21469159
    [Abstract] [Full Text] [Related]

  • 7. Structural basis for the complete loss of GSK3beta catalytic activity due to R96 mutation investigated by molecular dynamics study.
    Zhang N, Jiang Y, Zou J, Yu Q, Zhao W.
    Proteins; 2009 May 15; 75(3):671-81. PubMed ID: 19003984
    [Abstract] [Full Text] [Related]

  • 8. Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations.
    Zhu J, Wu Y, Xu L, Jin J.
    Curr Comput Aided Drug Des; 2020 May 15; 16(1):17-30. PubMed ID: 31284868
    [Abstract] [Full Text] [Related]

  • 9. 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 15; 51():37-49. PubMed ID: 24858254
    [Abstract] [Full Text] [Related]

  • 10. Homology modeling and molecular dynamics study of GSK3/SHAGGY-like kinase.
    Xiao JF, Li ZS, Sun M, Zhang Y, Sun CC.
    Comput Biol Chem; 2004 Jul 15; 28(3):179-88. PubMed ID: 15261148
    [Abstract] [Full Text] [Related]

  • 11. Effect of mutation K85R on GSK-3beta: Molecular dynamics simulation.
    Sun H, Jiang YJ, Yu QS, Luo CC, Zou JW.
    Biochem Biophys Res Commun; 2008 Dec 19; 377(3):962-5. PubMed ID: 18955029
    [Abstract] [Full Text] [Related]

  • 12. Unraveling the role of Arg4 and Arg6 in the auto-inhibition mechanism of GSK3β from molecular dynamics simulation.
    Mou L, Li M, Lu SY, Li S, Shen Q, Zhang J, Li C, Lu X.
    Chem Biol Drug Des; 2014 Jun 19; 83(6):721-30. PubMed ID: 24444018
    [Abstract] [Full Text] [Related]

  • 13. Structural basis for the GSK-3beta binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1H-[1,2,3] triazole-4-carboxylic acid derivatives.
    Pande V, Ramos MJ.
    Bioorg Med Chem Lett; 2005 Dec 01; 15(23):5129-35. PubMed ID: 16213715
    [Abstract] [Full Text] [Related]

  • 14. In silico deconstruction of ATP-competitive inhibitors of glycogen synthase kinase-3β.
    Bisignano P, Lambruschini C, Bicego M, Murino V, Favia AD, Cavalli A.
    J Chem Inf Model; 2012 Dec 21; 52(12):3233-44. PubMed ID: 23198830
    [Abstract] [Full Text] [Related]

  • 15. Structural basis of valmerins as dual inhibitors of GSK3β/CDK5.
    Li X, Wang X, Tian Z, Zhao H, Liang D, Li W, Qiu Y, Lu S.
    J Mol Model; 2014 Sep 21; 20(9):2407. PubMed ID: 25142337
    [Abstract] [Full Text] [Related]

  • 16. Effect of double mutations K214/A-E215/Q of FRATide on GSK3β: insights from molecular dynamics simulation and normal mode analysis.
    Lu SY, Jiang YJ, Zou JW, Wu TX.
    Amino Acids; 2012 Jul 21; 43(1):267-77. PubMed ID: 21912861
    [Abstract] [Full Text] [Related]

  • 17. Structure-activity relationship of the 7-hydroxy benzimidazole analogs as glycogen synthase kinase 3β inhibitor.
    Lee SC, Shin D, Cho JM, Ro S, Suh YG.
    Bioorg Med Chem Lett; 2012 Mar 01; 22(5):1891-4. PubMed ID: 22325951
    [Abstract] [Full Text] [Related]

  • 18. The effect of Li+ on GSK-3 inhibition: molecular dynamics simulation.
    Sun H, Jiang YJ, Yu QS, Luo CC, Zou JW.
    J Mol Model; 2011 Feb 01; 17(2):377-81. PubMed ID: 20473698
    [Abstract] [Full Text] [Related]

  • 19. 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 01; 77(3):199-205. PubMed ID: 21244636
    [Abstract] [Full Text] [Related]

  • 20. Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3β inhibitors through virtual screening.
    Zhang P, Hu HR, Huang ZH, Lei JY, Chu Y, Ye DY.
    Bioorg Med Chem Lett; 2012 Dec 01; 22(23):7232-6. PubMed ID: 23099099
    [Abstract] [Full Text] [Related]

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