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Journal Abstract Search

1207 related items for PubMed ID: 23340525

  • 41. Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.
    Zhao H, Huang D, Caflisch A.
    ChemMedChem; 2012 Nov; 7(11):1983-90. PubMed ID: 22976951
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  • 42. In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free energy of pyrazolopyrimidine derivatives.
    Faris A, Hadni H, Ibrahim IM, Elhallaoui M.
    J Biomol Struct Dyn; 2024 Jun; 42(9):4817-4833. PubMed ID: 37338041
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  • 43. 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; 9(9):2266-81. PubMed ID: 23864105
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  • 44. Discovery of bis-aryl urea derivatives as potent and selective Limk inhibitors: Exploring Limk1 activity and Limk1/ROCK2 selectivity through a combined computational study.
    Cui J, Ding M, Deng W, Yin Y, Wang Z, Zhou H, Sun G, Jiang Y, Feng Y.
    Bioorg Med Chem; 2015 Dec 01; 23(23):7464-77. PubMed ID: 26545798
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  • 45. Studies of Interaction Mechanism between Pyrido [3,4-d] Pyrimidine Inhibitors and Mps1.
    Xing C, Zhou X, Chen C, Sun W, Zheng Q, Liang D.
    Molecules; 2021 Aug 21; 26(16):. PubMed ID: 34443663
    [Abstract] [Full Text] [Related]

  • 46. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
    Hu Y, Zhou L, Zhu X, Dai D, Bao Y, Qiu Y.
    J Biomol Struct Dyn; 2019 Jul 21; 37(10):2703-2715. PubMed ID: 30052133
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  • 47. Structural and energetic insight into the interactions between the benzolactam inhibitors and tumor marker HSP90α.
    Guo XY, Qi RP, Xu DG, Liu XH, Yang X.
    Comput Biol Chem; 2015 Oct 21; 58():182-91. PubMed ID: 26256798
    [Abstract] [Full Text] [Related]

  • 48. Structure-Based Drug Design Studies Toward the Discovery of Novel Chalcone Derivatives as Potential Epidermal Growth Factor Receptor (EGFR) Inhibitors.
    Al-Anazi M, Al-Najjar BO, Khairuddean M.
    Molecules; 2018 Dec 05; 23(12):. PubMed ID: 30563058
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  • 51. Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations.
    Zaman Z, Khan S, Nouroz F, Farooq U, Urooj A.
    Life Sci; 2021 Jan 01; 264():118621. PubMed ID: 33164832
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  • 55. Quantum polarized ligand docking investigation to understand the significance of protonation states in histone deacetylase inhibitors.
    Kalyaanamoorthy S, Chen YP.
    J Mol Graph Model; 2013 Jul 01; 44():44-53. PubMed ID: 23732305
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  • 56. An integrated molecular modeling approach for in silico design of new tetracyclic derivatives as ALK inhibitors.
    Peddi SR, Sivan SK, Manga V.
    J Recept Signal Transduct Res; 2016 Oct 01; 36(5):488-504. PubMed ID: 26758803
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