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Journal Abstract Search

683 related items for PubMed ID: 19580304

  • 1. Absolute hydration entropies of alkali metal ions from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    J Phys Chem B; 2009 Jul 30; 113(30):10255-60. PubMed ID: 19580304
    [Abstract] [Full Text] [Related]

  • 2. Unraveling water's entropic mysteries: a unified view of nonpolar, polar, and ionic hydration.
    Ben-Amotz D, Underwood R.
    Acc Chem Res; 2008 Aug 30; 41(8):957-67. PubMed ID: 18710198
    [Abstract] [Full Text] [Related]

  • 3. Calculations of solute and solvent entropies from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    Phys Chem Chem Phys; 2006 Dec 14; 8(46):5385-95. PubMed ID: 17119645
    [Abstract] [Full Text] [Related]

  • 4. Contribution of hydration to protein folding thermodynamics. II. The entropy and Gibbs energy of hydration.
    Privalov PL, Makhatadze GI.
    J Mol Biol; 1993 Jul 20; 232(2):660-79. PubMed ID: 8393941
    [Abstract] [Full Text] [Related]

  • 5. 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 20; 16(3):226-45. PubMed ID: 8346190
    [Abstract] [Full Text] [Related]

  • 6. Empirical force fields for biologically active divalent metal cations in water.
    Babu CS, Lim C.
    J Phys Chem A; 2006 Jan 19; 110(2):691-9. PubMed ID: 16405342
    [Abstract] [Full Text] [Related]

  • 7. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL, Patel S.
    J Chem Phys; 2007 Aug 14; 127(6):064509. PubMed ID: 17705614
    [Abstract] [Full Text] [Related]

  • 8. Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field.
    Lamoureux G, Roux B.
    J Phys Chem B; 2006 Feb 23; 110(7):3308-22. PubMed ID: 16494345
    [Abstract] [Full Text] [Related]

  • 9. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
    Reif MM, Hünenberger PH.
    J Chem Phys; 2011 Apr 14; 134(14):144104. PubMed ID: 21495739
    [Abstract] [Full Text] [Related]

  • 10. Prediction of SAMPL-1 hydration free energies using a continuum electrostatics-dispersion model.
    Sulea T, Wanapun D, Dennis S, Purisima EO.
    J Phys Chem B; 2009 Apr 09; 113(14):4511-20. PubMed ID: 19267492
    [Abstract] [Full Text] [Related]

  • 11. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
    Levy RM, Zhang LY, Gallicchio E, Felts AK.
    J Am Chem Soc; 2003 Aug 06; 125(31):9523-30. PubMed ID: 12889983
    [Abstract] [Full Text] [Related]

  • 12. MST continuum study of the hydration free energies of monovalent ionic species.
    Curutchet C, Bidon-Chanal A, Soteras I, Orozco M, Luque FJ.
    J Phys Chem B; 2005 Mar 03; 109(8):3565-74. PubMed ID: 16851394
    [Abstract] [Full Text] [Related]

  • 13. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
    Shirts MR, Pande VS.
    J Chem Phys; 2005 Apr 01; 122(13):134508. PubMed ID: 15847482
    [Abstract] [Full Text] [Related]

  • 14. Coordination numbers of alkali metal ions in aqueous solutions.
    Varma S, Rempe SB.
    Biophys Chem; 2006 Dec 01; 124(3):192-9. PubMed ID: 16875774
    [Abstract] [Full Text] [Related]

  • 15. Entropy of water in the hydration layer of major and minor grooves of DNA.
    Jana B, Pal S, Maiti PK, Lin ST, Hynes JT, Bagchi B.
    J Phys Chem B; 2006 Oct 05; 110(39):19611-8. PubMed ID: 17004828
    [Abstract] [Full Text] [Related]

  • 16. Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton.
    Kelly CP, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2006 Aug 17; 110(32):16066-81. PubMed ID: 16898764
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