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Journal Abstract Search

105 related items for PubMed ID: 11297451

  • 21. Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA.
    Mena-Ulecia K, Tiznado W, Caballero J.
    PLoS One; 2015; 10(11):e0142774. PubMed ID: 26599107
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  • 22. Comparative molecular dynamics simulations of histone deacetylase-like protein: binding modes and free energy analysis to hydroxamic acid inhibitors.
    Yan C, Xiu Z, Li X, Li S, Hao C, Teng H.
    Proteins; 2008 Oct; 73(1):134-49. PubMed ID: 18398905
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  • 24. A predicted tertiary structure of a thrombin inhibitor-trypsin complex explains the mechanisms of the selective inhibition of thrombin, factor Xa, plasmin, and trypsin.
    Matsuzaki T, Sasaki C, Umeyama H.
    J Biochem; 1988 Mar; 103(3):537-43. PubMed ID: 2968979
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  • 28. A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation.
    Chen J, Wang J, Zhang Q, Chen K, Zhu W.
    J Biomol Struct Dyn; 2015 Mar; 33(12):2606-18. PubMed ID: 25562613
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  • 29. Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding.
    Koenekoop L, Åqvist J.
    J Chem Theory Comput; 2024 Jul 09; 20(13):5708-5716. PubMed ID: 38870420
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  • 30. Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes.
    Bone R, Lu T, Illig CR, Soll RM, Spurlino JC.
    J Med Chem; 1998 Jun 04; 41(12):2068-75. PubMed ID: 9622548
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  • 31. The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor.
    Chirgadze NY, Sall DJ, Klimkowski VJ, Clawson DK, Briggs SL, Hermann R, Smith GF, Gifford-Moore DS, Wery JP.
    Protein Sci; 1997 Jul 04; 6(7):1412-7. PubMed ID: 9232642
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  • 33. Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: applications to a set of glucose analogue inhibitors of glycogen phosphorylase.
    Venkatarangan P, Hopfinger AJ.
    J Med Chem; 1999 Jun 17; 42(12):2169-79. PubMed ID: 10377222
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  • 34. Comparative binding energy analysis considering multiple receptors: a step toward 3D-QSAR models for multiple targets.
    Murcia M, Morreale A, Ortiz AR.
    J Med Chem; 2006 Oct 19; 49(21):6241-53. PubMed ID: 17034130
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  • 35. Methyl effects on protein-ligand binding.
    Leung CS, Leung SS, Tirado-Rives J, Jorgensen WL.
    J Med Chem; 2012 May 10; 55(9):4489-500. PubMed ID: 22500930
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  • 36. Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.
    van Lipzig MM, ter Laak AM, Jongejan A, Vermeulen NP, Wamelink M, Geerke D, Meerman JH.
    J Med Chem; 2004 Feb 12; 47(4):1018-30. PubMed ID: 14761204
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  • 37. Computational modelling of inhibitor binding to human thrombin.
    Ljungberg KB, Marelius J, Musil D, Svensson P, Norden B, Aqvist J.
    Eur J Pharm Sci; 2001 Feb 12; 12(4):441-6. PubMed ID: 11231110
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  • 38. Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
    Krishnan R, Mochalkin I, Arni R, Tulinsky A.
    Acta Crystallogr D Biol Crystallogr; 2000 Mar 12; 56(Pt 3):294-303. PubMed ID: 10713516
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  • 39. Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
    Brandstetter H, Turk D, Hoeffken HW, Grosse D, Stürzebecher J, Martin PD, Edwards BF, Bode W.
    J Mol Biol; 1992 Aug 20; 226(4):1085-99. PubMed ID: 1518046
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  • 40. Probing the hirudin-thrombin interaction by incorporation of noncoded amino acids and molecular dynamics simulation.
    De Filippis V, Colombo G, Russo I, Spadari B, Fontana A.
    Biochemistry; 2002 Nov 19; 41(46):13556-69. PubMed ID: 12427016
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