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Journal Abstract Search


127 related items for PubMed ID: 9154975

  • 1. Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method.
    Jones-Hertzog DK, Jorgensen WL.
    J Med Chem; 1997 May 09; 40(10):1539-49. PubMed ID: 9154975
    [Abstract] [Full Text] [Related]

  • 2. Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
    Smith RH, Jorgensen WL, Tirado-Rives J, Lamb ML, Janssen PA, Michejda CJ, Kroeger Smith MB.
    J Med Chem; 1998 Dec 17; 41(26):5272-86. PubMed ID: 9857095
    [Abstract] [Full Text] [Related]

  • 3. Crystal structure of two new bifunctional nonsubstrate type thrombin inhibitors complexed with human alpha-thrombin.
    Féthière J, Tsuda Y, Coulombe R, Konishi Y, Cygler M.
    Protein Sci; 1996 Jun 17; 5(6):1174-83. PubMed ID: 8762149
    [Abstract] [Full Text] [Related]

  • 4. Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.
    Pierce AC, Jorgensen WL.
    J Med Chem; 2001 Mar 29; 44(7):1043-50. PubMed ID: 11297451
    [Abstract] [Full Text] [Related]

  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.
    Ostrovsky D, Udier-Blagović M, Jorgensen WL.
    J Med Chem; 2003 Dec 18; 46(26):5691-9. PubMed ID: 14667222
    [Abstract] [Full Text] [Related]

  • 7. Inhibitor binding to thrombin: x-ray crystallographic studies.
    Banner DW, Hadváry P.
    Adv Exp Med Biol; 1993 Dec 18; 340():27-33. PubMed ID: 8154341
    [No Abstract] [Full Text] [Related]

  • 8. Estimation of the binding affinities of FKBP12 inhibitors using a linear response method.
    Lamb ML, Tirado-Rives J, Jorgensen WL.
    Bioorg Med Chem; 1999 May 18; 7(5):851-60. PubMed ID: 10400338
    [Abstract] [Full Text] [Related]

  • 9. 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 18; 12(4):441-6. PubMed ID: 11231110
    [Abstract] [Full Text] [Related]

  • 10. Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydro-8- quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin. X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.
    Bode W, Turk D, Stürzebecher J.
    Eur J Biochem; 1990 Oct 05; 193(1):175-82. PubMed ID: 2226434
    [Abstract] [Full Text] [Related]

  • 11. 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 Oct 05; 10(11):e0142774. PubMed ID: 26599107
    [Abstract] [Full Text] [Related]

  • 12. Effect of Thrombin Inhibitors on Positive Feedback in the Coagulation Cascade.
    Ustinov NB, Zav'yalova EG, Kopylov AM.
    Biochemistry (Mosc); 2016 Mar 05; 81(3):242-8. PubMed ID: 27262193
    [Abstract] [Full Text] [Related]

  • 13. Interactions of some commonly used drugs with human α-thrombin.
    Nair DG, Narayanan SP, Chittalakkottu S.
    J Biomol Struct Dyn; 2015 Mar 05; 33(5):1008-15. PubMed ID: 24819365
    [Abstract] [Full Text] [Related]

  • 14. The mechanism of binding of low-molecular-weight active site inhibitors to human alpha-thrombin.
    Nilsson T, Sjöling-Ericksson A, Deinum J.
    J Enzyme Inhib; 1998 Feb 05; 13(1):11-29. PubMed ID: 9879511
    [Abstract] [Full Text] [Related]

  • 15. Ligand binding cooperativity: Bioisosteric replacement of CO with SO2 among thrombin inhibitors.
    Said AM, Hangauer DG.
    Bioorg Med Chem Lett; 2016 Aug 15; 26(16):3850-4. PubMed ID: 27445170
    [Abstract] [Full Text] [Related]

  • 16. Thermodynamics of substrates and reversible inhibitors binding to the active site cleft of human alpha-thrombin.
    De Cristofaro R, Landolfi R.
    J Mol Biol; 1994 Jun 17; 239(4):569-77. PubMed ID: 8006969
    [Abstract] [Full Text] [Related]

  • 17. Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues.
    Kroeger Smith MB, Hose BM, Hawkins A, Lipchock J, Farnsworth DW, Rizzo RC, Tirado-Rives J, Arnold E, Zhang W, Hughes SH, Jorgensen WL, Michejda CJ, Smith RH.
    J Med Chem; 2003 May 08; 46(10):1940-7. PubMed ID: 12723956
    [Abstract] [Full Text] [Related]

  • 18. A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
    Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W.
    J Mol Biol; 2001 Apr 13; 307(5):1451-86. PubMed ID: 11292354
    [Abstract] [Full Text] [Related]

  • 19. Thermodynamic analysis of mRNA cap binding by the human initiation factor eIF4E via free energy perturbations.
    Guimarães CR, Kopecky DJ, Mihalic J, Shen S, Jeffries S, Thibault ST, Chen X, Walker N, Cardozo M.
    J Am Chem Soc; 2009 Dec 23; 131(50):18139-46. PubMed ID: 19924990
    [Abstract] [Full Text] [Related]

  • 20. On the interaction of aliphatic amines and ammonium ions with carboxylic acids in solution and in receptor pockets.
    Nagy PI, Erhardt PW.
    J Phys Chem B; 2012 May 10; 116(18):5425-36. PubMed ID: 22510106
    [Abstract] [Full Text] [Related]


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