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Journal Abstract Search

262 related items for PubMed ID: 15614800

  • 1. 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; 26(3):272-82. PubMed ID: 15614800
    [Abstract] [Full Text] [Related]

  • 2. Contribution of the trifluoroacetyl group in the thermodynamics of antigen-antibody binding.
    Oda M, Saito M, Tsumuraya T, Fujii I.
    J Mol Recognit; 2010 Feb; 23(3):263-70. PubMed ID: 19544483
    [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; 16(3):226-45. PubMed ID: 8346190
    [Abstract] [Full Text] [Related]

  • 4. Analysis of the binding energies of testosterone, 5alpha-dihydrotestosterone, androstenedione and dehydroepiandrosterone sulfate with an antitestosterone antibody.
    Nordman N, Valjakka J, Peräkylä M.
    Proteins; 2003 Jan 01; 50(1):135-43. PubMed ID: 12471606
    [Abstract] [Full Text] [Related]

  • 5. A detailed binding free energy study of 2:1 ligand-DNA complex formation by experiment and simulation.
    Treesuwan W, Wittayanarakul K, Anthony NG, Huchet G, Alniss H, Hannongbua S, Khalaf AI, Suckling CJ, Parkinson JA, Mackay SP.
    Phys Chem Chem Phys; 2009 Dec 07; 11(45):10682-93. PubMed ID: 20145812
    [Abstract] [Full Text] [Related]

  • 6. The role of backbone motions in ligand binding to the c-Src SH3 domain.
    Wang C, Pawley NH, Nicholson LK.
    J Mol Biol; 2001 Nov 02; 313(4):873-87. PubMed ID: 11697910
    [Abstract] [Full Text] [Related]

  • 7. Thermodynamic and structural basis for transition-state stabilization in antibody-catalyzed hydrolysis.
    Oda M, Ito N, Tsumuraya T, Suzuki K, Sakakura M, Fujii I.
    J Mol Biol; 2007 May 25; 369(1):198-209. PubMed ID: 17428500
    [Abstract] [Full Text] [Related]

  • 8. Reaction pathways and free energy barriers for alkaline hydrolysis of insecticide 2-trimethylammonioethyl methylphosphonofluoridate and related organophosphorus compounds: electrostatic and steric effects.
    Xiong Y, Zhan CG.
    J Org Chem; 2004 Nov 26; 69(24):8451-8. PubMed ID: 15549820
    [Abstract] [Full Text] [Related]

  • 9. Energetics of binding the mammalian high mobility group protein HMGA2 to poly(dA-dT)2 and poly(dA)-poly(dT).
    Cui T, Wei S, Brew K, Leng F.
    J Mol Biol; 2005 Sep 23; 352(3):629-45. PubMed ID: 16109425
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. Thermodynamic analysis of binding between mouse major urinary protein-I and the pheromone 2-sec-butyl-4,5-dihydrothiazole.
    Sharrow SD, Novotny MV, Stone MJ.
    Biochemistry; 2003 May 27; 42(20):6302-9. PubMed ID: 12755635
    [Abstract] [Full Text] [Related]

  • 12. Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.
    Naïm M, Bhat S, Rankin KN, Dennis S, Chowdhury SF, Siddiqi I, Drabik P, Sulea T, Bayly CI, Jakalian A, Purisima EO.
    J Chem Inf Model; 2007 May 27; 47(1):122-33. PubMed ID: 17238257
    [Abstract] [Full Text] [Related]

  • 13. Free energy calculations for the relative binding affinity between DNA and lambda-repressor.
    Saito M, Sarai A.
    Proteins; 2003 Aug 01; 52(2):129-36. PubMed ID: 12833537
    [Abstract] [Full Text] [Related]

  • 14. Deducing the energetic cost of protein folding in zinc finger proteins using designed metallopeptides.
    Reddi AR, Guzman TR, Breece RM, Tierney DL, Gibney BR.
    J Am Chem Soc; 2007 Oct 24; 129(42):12815-27. PubMed ID: 17902663
    [Abstract] [Full Text] [Related]

  • 15. Kinetics and thermodynamics of ligand binding to a molten globular enzyme and its native counterpart.
    Vamvaca K, Jelesarov I, Hilvert D.
    J Mol Biol; 2008 Oct 17; 382(4):971-7. PubMed ID: 18680748
    [Abstract] [Full Text] [Related]

  • 16. 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 17; 49(3):615-22. PubMed ID: 19243169
    [Abstract] [Full Text] [Related]

  • 17. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
    [Abstract] [Full Text] [Related]

  • 18. Polar group enhanced gas-phase acidities of carboxylic acids: an investigation of intramolecular electrostatic interaction.
    Ren J.
    J Phys Chem A; 2006 Dec 21; 110(50):13405-11. PubMed ID: 17165865
    [Abstract] [Full Text] [Related]

  • 19. The design, synthesis and evaluation of high affinity macrocyclic carbohydrate inhibitors.
    McGavin RS, Gagne RA, Chervenak MC, Bundle DR.
    Org Biomol Chem; 2005 Aug 07; 3(15):2723-32. PubMed ID: 16032350
    [Abstract] [Full Text] [Related]

  • 20. Calculation of absolute ligand binding free energy to a ribosome-targeting protein as a function of solvent model.
    Lee MS, Olson MA.
    J Phys Chem B; 2008 Oct 23; 112(42):13411-7. PubMed ID: 18821791
    [Abstract] [Full Text] [Related]

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