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Journal Abstract Search

168 related items for PubMed ID: 19243169

  • 1. Binding free energy calculations of adenosine deaminase inhibitor and the effect of methyl substitution in inhibitors.
    Kosugi T, Nakanishi I, Kitaura K.
    J Chem Inf Model; 2009 Mar; 49(3):615-22. PubMed ID: 19243169
    [Abstract] [Full Text] [Related]

  • 2. Binding free energy calculations of adenosine deaminase inhibitors.
    Coi A, Tonelli M, Ganadu ML, Bianucci AM.
    Bioorg Med Chem; 2006 Apr 15; 14(8):2636-41. PubMed ID: 16376548
    [Abstract] [Full Text] [Related]

  • 3. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
    Miyamoto S, Kollman PA.
    Proteins; 1993 Jul 15; 16(3):226-45. PubMed ID: 8346190
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  • 4. 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 15; 73(1):134-49. PubMed ID: 18398905
    [Abstract] [Full Text] [Related]

  • 5. A free energy calculation study of the effect of H-->F substitution on binding affinity in ligand-antibody interactions.
    Saito M, Okazaki I, Oda M, Fujii I.
    J Comput Chem; 2005 Feb 15; 26(3):272-82. PubMed ID: 15614800
    [Abstract] [Full Text] [Related]

  • 6. Molecular insight into pseudolysin inhibition using the MM-PBSA and LIE methods.
    Adekoya OA, Willassen NP, Sylte I.
    J Struct Biol; 2006 Feb 15; 153(2):129-44. PubMed ID: 16376106
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. Glycogen phosphorylase inhibitors: a free energy perturbation analysis of glucopyranose spirohydantoin analogues.
    Archontis G, Watson KA, Xie Q, Andreou G, Chrysina ED, Zographos SE, Oikonomakos NG, Karplus M.
    Proteins; 2005 Dec 01; 61(4):984-98. PubMed ID: 16245298
    [Abstract] [Full Text] [Related]

  • 9. Free energy simulations and MM-PBSA analyses on the affinity and specificity of steroid binding to antiestradiol antibody.
    Laitinen T, Kankare JA, Peräkylä M.
    Proteins; 2004 Apr 01; 55(1):34-43. PubMed ID: 14997538
    [Abstract] [Full Text] [Related]

  • 10. Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding.
    Alexacou KM, Hayes JM, Tiraidis C, Zographos SE, Leonidas DD, Chrysina ED, Archontis G, Oikonomakos NG, Paul JV, Varghese B, Loganathan D.
    Proteins; 2008 May 15; 71(3):1307-23. PubMed ID: 18041758
    [Abstract] [Full Text] [Related]

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  • 12. Theoretical study of inhibition of adenosine deaminase by (8R)-coformycin and (8R)-deoxycoformycin.
    Marrone TJ, Straatsma TP, Briggs JM, Wilson DK, Quiocho FA, McCammon JA.
    J Med Chem; 1996 Jan 05; 39(1):277-84. PubMed ID: 8568817
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  • 16. Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV.
    Desheng L, Jian G, Yuanhua C, Wei C, Huai Z, Mingjuan J.
    Bioorg Med Chem Lett; 2011 Nov 15; 21(22):6630-5. PubMed ID: 21996517
    [Abstract] [Full Text] [Related]

  • 17. Molecular dynamics study of zinc binding to cysteines in a peptide mimic of the alcohol dehydrogenase structural zinc site.
    Brandt EG, Hellgren M, Brinck T, Bergman T, Edholm O.
    Phys Chem Chem Phys; 2009 Feb 14; 11(6):975-83. PubMed ID: 19177216
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  • 19. Free energy calculations of glycosaminoglycan-protein interactions.
    Gandhi NS, Mancera RL.
    Glycobiology; 2009 Oct 14; 19(10):1103-15. PubMed ID: 19643843
    [Abstract] [Full Text] [Related]

  • 20. Characterization of hydrogen bonding in the complex of adenosine deaminase with a transition state analogue: a Raman spectroscopic study.
    Deng H, Kurz LC, Rudolph FB, Callender R.
    Biochemistry; 1998 Apr 07; 37(14):4968-76. PubMed ID: 9538015
    [Abstract] [Full Text] [Related]

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