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Journal Abstract Search

249 related items for PubMed ID: 16633590

  • 1. Hybrid integral equation/simulation model for enhancing free energy computations.
    Schilling B, Brickmann J, Kast SM.
    Phys Chem Chem Phys; 2006 Mar 07; 8(9):1086-95. PubMed ID: 16633590
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  • 2. Integral equation study of hydrophobic interaction: a comparison between the simple point charge model for water and a Lennard-Jones model for solvent.
    Sumi T, Sekino H.
    J Chem Phys; 2007 Apr 14; 126(14):144508. PubMed ID: 17444724
    [Abstract] [Full Text] [Related]

  • 3. 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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  • 4. How hydrophobic hydration responds to solute size and attractions: Theory and simulations.
    Athawale MV, Jamadagni SN, Garde S.
    J Chem Phys; 2009 Sep 21; 131(11):115102. PubMed ID: 19778151
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  • 6. 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
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  • 11. Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.
    Minezawa N, Kato S.
    J Chem Phys; 2007 Feb 07; 126(5):054511. PubMed ID: 17302489
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  • 13. Treatment of charged solutes in three-dimensional integral equation theory.
    Kloss T, Kast SM.
    J Chem Phys; 2008 Apr 07; 128(13):134505. PubMed ID: 18397075
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  • 16. Quantifying the hydrophobic effect. 1. A computer simulation-molecular-thermodynamic model for the self-assembly of hydrophobic and amphiphilic solutes in aqueous solution.
    Stephenson BC, Goldsipe A, Beers KJ, Blankschtein D.
    J Phys Chem B; 2007 Feb 08; 111(5):1025-44. PubMed ID: 17266257
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  • 18. On the molecular origins of volumetric data.
    Chalikian TV.
    J Phys Chem B; 2008 Jan 24; 112(3):911-7. PubMed ID: 18171052
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  • 19. Water coordination structures and the excess free energy of the liquid.
    Merchant S, Shah JK, Asthagiri D.
    J Chem Phys; 2011 Mar 28; 134(12):124514. PubMed ID: 21456683
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  • 20. AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.
    Gallicchio E, Levy RM.
    J Comput Chem; 2004 Mar 28; 25(4):479-99. PubMed ID: 14735568
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