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Journal Abstract Search

152 related items for PubMed ID: 17030307

  • 1. Description of hydration free energy density as a function of molecular physical properties.
    No KT, Kim SG, Cho KH, Scheraga HA.
    Biophys Chem; 1999 Apr 05; 78(1-2):127-45. PubMed ID: 17030307
    [Abstract] [Full Text] [Related]

  • 2. A partition coefficient calculation method with the SFED model.
    In Y, Chai HH, No KT.
    J Chem Inf Model; 2005 Apr 05; 45(2):254-63. PubMed ID: 15807486
    [Abstract] [Full Text] [Related]

  • 3. A generalized G-SFED continuum solvation free energy calculation model.
    Lee S, Cho KH, Kang YM, Scheraga HA, No KT.
    Proc Natl Acad Sci U S A; 2013 Feb 19; 110(8):E662-7. PubMed ID: 23378634
    [Abstract] [Full Text] [Related]

  • 4. Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.
    Ma S, Hwang S, Lee S, Acree WE, No KT.
    J Chem Inf Model; 2018 Apr 23; 58(4):761-772. PubMed ID: 29561152
    [Abstract] [Full Text] [Related]

  • 5. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2009 May 07; 113(18):6378-96. PubMed ID: 19366259
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. Hydration in discrete water. A mean field, cellular automata based approach to calculating hydration free energies.
    Setny P, Zacharias M.
    J Phys Chem B; 2010 Jul 08; 114(26):8667-75. PubMed ID: 20552986
    [Abstract] [Full Text] [Related]

  • 8. Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.
    Goncalves PF, Stassen H.
    J Chem Phys; 2005 Dec 01; 123(21):214109. PubMed ID: 16356041
    [Abstract] [Full Text] [Related]

  • 9. The importance of excluded solvent volume effects in computing hydration free energies.
    Yang PK, Lim C.
    J Phys Chem B; 2008 Nov 27; 112(47):14863-8. PubMed ID: 18956834
    [Abstract] [Full Text] [Related]

  • 10. Comparison Study of Polar and Nonpolar Contributions to Solvation Free Energy.
    Izairi R, Kamberaj H.
    J Chem Inf Model; 2017 Oct 23; 57(10):2539-2553. PubMed ID: 28880080
    [Abstract] [Full Text] [Related]

  • 11. Calculation of the solvation free energy of neutral and ionic molecules in diverse solvents.
    Lee S, Cho KH, Lee CJ, Kim GE, Na CH, In Y, No KT.
    J Chem Inf Model; 2011 Jan 24; 51(1):105-14. PubMed ID: 21133372
    [Abstract] [Full Text] [Related]

  • 12. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.
    Kelly CP, Cramer CJ, Truhlar DG.
    J Chem Theory Comput; 2005 Nov 24; 1(6):1133-52. PubMed ID: 26631657
    [Abstract] [Full Text] [Related]

  • 13. Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations.
    Dahlgren B, Reif MM, Hünenberger PH, Hansen N.
    J Chem Theory Comput; 2012 Oct 09; 8(10):3542-64. PubMed ID: 26593002
    [Abstract] [Full Text] [Related]

  • 14. GSSI, a general model for solute-solvent interactions. 1. Description of the model.
    Deanda F, Smith KM, Liu J, Pearlman RS.
    Mol Pharm; 2004 Jan 12; 1(1):23-39. PubMed ID: 15832498
    [Abstract] [Full Text] [Related]

  • 15. Accounting for polarization cost when using fixed charge force fields. II. Method and application for computing effect of polarization cost on free energy of hydration.
    Swope WC, Horn HW, Rice JE.
    J Phys Chem B; 2010 Jul 08; 114(26):8631-45. PubMed ID: 20540502
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. Hydration in discrete water (II): from neutral to charged solutes.
    Setny P.
    J Phys Chem B; 2015 May 14; 119(19):5970-8. PubMed ID: 25896299
    [Abstract] [Full Text] [Related]

  • 19. On the molecular origins of volumetric data.
    Chalikian TV.
    J Phys Chem B; 2008 Jan 24; 112(3):911-7. PubMed ID: 18171052
    [Abstract] [Full Text] [Related]

  • 20. Hydration Energy from a Composite Method for Implicit Representation of Solvent.
    Pomogaeva A, Chipman DM.
    J Chem Theory Comput; 2014 Jan 14; 10(1):211-9. PubMed ID: 26579904
    [Abstract] [Full Text] [Related]

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