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Journal Abstract Search

281 related items for PubMed ID: 12932782

  • 1. Docking studies of matrix metalloproteinase inhibitors: zinc parameter optimization to improve the binding free energy prediction.
    Hu X, Shelver WH.
    J Mol Graph Model; 2003 Nov; 22(2):115-26. PubMed ID: 12932782
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  • 2. Examination of novel zinc-binding groups for use in matrix metalloproteinase inhibitors.
    Puerta DT, Cohen SM.
    Inorg Chem; 2003 Jun 02; 42(11):3423-30. PubMed ID: 12767177
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  • 5. In silico study of MMP inhibition.
    Rouffet M, Denhez C, Bourguet E, Bohr F, Guillaume D.
    Org Biomol Chem; 2009 Sep 21; 7(18):3817-25. PubMed ID: 19707688
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  • 9. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E, Walters WP, Charifson PS.
    Proteins; 2004 Aug 01; 56(2):235-49. PubMed ID: 15211508
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  • 10. N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: mode of binding in a complex with MMP-8.
    Campestre C, Agamennone M, Tortorella P, Preziuso S, Biasone A, Gavuzzo E, Pochetti G, Mazza F, Hiller O, Tschesche H, Consalvi V, Gallina C.
    Bioorg Med Chem Lett; 2006 Jan 01; 16(1):20-4. PubMed ID: 16242329
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  • 12. The consequences of scoring docked ligand conformations using free energy correlations.
    Spyrakis F, Amadasi A, Fornabaio M, Abraham DJ, Mozzarelli A, Kellogg GE, Cozzini P.
    Eur J Med Chem; 2007 Jul 01; 42(7):921-33. PubMed ID: 17346861
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  • 15. Understanding the binding of inhibitors of matrix metalloproteinases by molecular docking, quantum mechanical calculations, molecular dynamics simulations, and a MMGBSA/MMBappl study.
    Singh T, Adekoya OA, Jayaram B.
    Mol Biosyst; 2015 Apr 01; 11(4):1041-51. PubMed ID: 25611160
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  • 16. A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.
    Moitessier N, Therrien E, Hanessian S.
    J Med Chem; 2006 Oct 05; 49(20):5885-94. PubMed ID: 17004704
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  • 17. SODOCK: swarm optimization for highly flexible protein-ligand docking.
    Chen HM, Liu BF, Huang HL, Hwang SF, Ho SY.
    J Comput Chem; 2007 Jan 30; 28(2):612-23. PubMed ID: 17186483
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  • 18. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
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  • 20. Ternary ligand-zinc-hydroxamate complexes.
    Chiu YH, Gabriel GJ, Canary JW.
    Inorg Chem; 2005 Jan 10; 44(1):40-4. PubMed ID: 15627358
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