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1076 related items for PubMed ID: 19115819

  • 1. 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]

  • 2. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Oct 22; 123(16):164502. PubMed ID: 16268707
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field.
    Noskov SY, Lamoureux G, Roux B.
    J Phys Chem B; 2005 Apr 14; 109(14):6705-13. PubMed ID: 16851754
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  • 7. Interfacial structure, thermodynamics, and electrostatics of aqueous methanol solutions via molecular dynamics simulations using charge equilibration models.
    Patel S, Zhong Y, Bauer BA, Davis JE.
    J Phys Chem B; 2009 Jul 09; 113(27):9241-54. PubMed ID: 19569724
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  • 9. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Jan 08; 122(2):024508. PubMed ID: 15638599
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  • 10. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP, van Gunsteren WF.
    J Phys Chem B; 2007 Jun 14; 111(23):6425-36. PubMed ID: 17508737
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  • 11. Molecular dynamics study of water penetration in staphylococcal nuclease.
    Damjanović A, García-Moreno B, Lattman EE, García AE.
    Proteins; 2005 Aug 15; 60(3):433-49. PubMed ID: 15971206
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  • 12. Quasichemical and structural analysis of polarizable anion hydration.
    Rogers DM, Beck TL.
    J Chem Phys; 2010 Jan 07; 132(1):014505. PubMed ID: 20078170
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  • 14. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.
    Gallicchio E, Zhang LY, Levy RM.
    J Comput Chem; 2002 Apr 15; 23(5):517-29. PubMed ID: 11948578
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  • 15. 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
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  • 16. Quantifying the hydrophobic effect. 2. A computer simulation-molecular-thermodynamic model for the micellization of nonionic surfactants in aqueous solution.
    Stephenson BC, Goldsipe A, Beers KJ, Blankschtein D.
    J Phys Chem B; 2007 Feb 08; 111(5):1045-62. PubMed ID: 17266258
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  • 17. Potential of mean force of hydrophobic association: dependence on solute size.
    Sobolewski E, Makowski M, Czaplewski C, Liwo A, Ołdziej S, Scheraga HA.
    J Phys Chem B; 2007 Sep 13; 111(36):10765-74. PubMed ID: 17713937
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  • 18. Role of nonadditive forces on the structure and properties of liquid water.
    Li J, Zhou Z, Sadus RJ.
    J Chem Phys; 2007 Oct 21; 127(15):154509. PubMed ID: 17949175
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  • 19. Molecular dynamics simulations of aqueous solutions of ethanolamines.
    López-Rendón R, Mora MA, Alejandre J, Tuckerman ME.
    J Phys Chem B; 2006 Aug 03; 110(30):14652-8. PubMed ID: 16869568
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