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Journal Abstract Search

209 related items for PubMed ID: 21823715

  • 1. Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration.
    Ashbaugh HS, Liu L, Surampudi LN.
    J Chem Phys; 2011 Aug 07; 135(5):054510. PubMed ID: 21823715
    [Abstract] [Full Text] [Related]

  • 2. Assessing the thermodynamic signatures of hydrophobic hydration for several common water models.
    Ashbaugh HS, Collett NJ, Hatch HW, Staton JA.
    J Chem Phys; 2010 Mar 28; 132(12):124504. PubMed ID: 20370130
    [Abstract] [Full Text] [Related]

  • 3. Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria.
    Chang J, Sandler SI.
    J Chem Phys; 2004 Oct 15; 121(15):7474-83. PubMed ID: 15473822
    [Abstract] [Full Text] [Related]

  • 4. Pressure and temperature dependence of hydrophobic hydration: volumetric, compressibility, and thermodynamic signatures.
    Moghaddam MS, Chan HS.
    J Chem Phys; 2007 Mar 21; 126(11):114507. PubMed ID: 17381220
    [Abstract] [Full Text] [Related]

  • 5. Temperature dependence of the hydrophobic hydration and interaction of simple solutes: an examination of five popular water models.
    Paschek D.
    J Chem Phys; 2004 Apr 08; 120(14):6674-90. PubMed ID: 15267560
    [Abstract] [Full Text] [Related]

  • 6. Revised charge equilibration potential for liquid alkanes.
    Davis JE, Warren GL, Patel S.
    J Phys Chem B; 2008 Jul 17; 112(28):8298-310. PubMed ID: 18570394
    [Abstract] [Full Text] [Related]

  • 7. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
    [Abstract] [Full Text] [Related]

  • 8. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y, Patel S.
    J Phys Chem B; 2009 Jan 22; 113(3):767-78. PubMed ID: 19115819
    [Abstract] [Full Text] [Related]

  • 9. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.
    Mobley DL, Dumont E, Chodera JD, Dill KA.
    J Phys Chem B; 2007 Mar 08; 111(9):2242-54. PubMed ID: 17291029
    [Abstract] [Full Text] [Related]

  • 10. The Use of Anisotropic Potentials in Modeling Water and Free Energies of Hydration.
    Karamertzanis PG, Raiteri P, Galindo A.
    J Chem Theory Comput; 2010 May 11; 6(5):1590-607. PubMed ID: 26615693
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. 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]

  • 13. Are long-chain alkanes hydrophilic?
    Underwood R, Tomlinson-Phillips J, Ben-Amotz D.
    J Phys Chem B; 2010 Jul 08; 114(26):8646-51. PubMed ID: 20553015
    [Abstract] [Full Text] [Related]

  • 14. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
    Udier-Blagović M, Morales De Tirado P, Pearlman SA, Jorgensen WL.
    J Comput Chem; 2004 Aug 08; 25(11):1322-32. PubMed ID: 15185325
    [Abstract] [Full Text] [Related]

  • 15. Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models.
    Hess B, van der Vegt NF.
    J Phys Chem B; 2006 Sep 07; 110(35):17616-26. PubMed ID: 16942107
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Unraveling water's entropic mysteries: a unified view of nonpolar, polar, and ionic hydration.
    Ben-Amotz D, Underwood R.
    Acc Chem Res; 2008 Aug 23; 41(8):957-67. PubMed ID: 18710198
    [Abstract] [Full Text] [Related]

  • 18. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.
    Horn HW, Swope WC, Pitera JW.
    J Chem Phys; 2005 Nov 15; 123(19):194504. PubMed ID: 16321097
    [Abstract] [Full Text] [Related]

  • 19. Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
    Yu H, Geerke DP, Liu H, van Gunsteren WF.
    J Comput Chem; 2006 Oct 15; 27(13):1494-504. PubMed ID: 16838298
    [Abstract] [Full Text] [Related]

  • 20. A modified TIP3P water potential for simulation with Ewald summation.
    Price DJ, Brooks CL.
    J Chem Phys; 2004 Nov 22; 121(20):10096-103. PubMed ID: 15549884
    [Abstract] [Full Text] [Related]

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