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576 related items for PubMed ID: 18251537

  • 1. Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation.
    Freedman H, Le L, Tuszynski JA, Truong TN.
    J Phys Chem B; 2008 Feb 28; 112(8):2340-8. PubMed ID: 18251537
    [Abstract] [Full Text] [Related]

  • 2. Coupled reference interaction site model/simulation approach for thermochemistry of solvation: theory and prospects.
    Freedman H, Truong TN.
    J Chem Phys; 2004 Aug 01; 121(5):2187-98. PubMed ID: 15260773
    [Abstract] [Full Text] [Related]

  • 3. An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide.
    Freedman H, Truong TN.
    J Chem Phys; 2004 Dec 22; 121(24):12447-56. PubMed ID: 15606265
    [Abstract] [Full Text] [Related]

  • 4. Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM.
    Du QS, Liu PJ, Huang RB.
    J Mol Graph Model; 2008 Feb 22; 26(6):1014-9. PubMed ID: 17913525
    [Abstract] [Full Text] [Related]

  • 5. Comparative study on solvation free energy expressions in reference interaction site model integral equation theory.
    Sato K, Chuman H, Ten-no S.
    J Phys Chem B; 2005 Sep 15; 109(36):17290-5. PubMed ID: 16853207
    [Abstract] [Full Text] [Related]

  • 6. I-SOLV: a new surface-based empirical model for computing solvation free energies.
    Wang R, Lin F, Xu Y, Cheng T.
    J Mol Graph Model; 2007 Jul 15; 26(1):368-77. PubMed ID: 17317248
    [Abstract] [Full Text] [Related]

  • 7. Rational design of ion force fields based on thermodynamic solvation properties.
    Horinek D, Mamatkulov SI, Netz RR.
    J Chem Phys; 2009 Mar 28; 130(12):124507. PubMed ID: 19334851
    [Abstract] [Full Text] [Related]

  • 8. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN, Almagro JC, Hermans J.
    Proteins; 1998 Sep 01; 32(4):399-413. PubMed ID: 9726412
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  • 10. 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]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U, Caflisch A.
    J Comput Chem; 2008 Apr 15; 29(5):701-15. PubMed ID: 17918282
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  • 16. Application of the level-set method to the implicit solvation of nonpolar molecules.
    Cheng LT, Dzubiella J, McCammon JA, Li B.
    J Chem Phys; 2007 Aug 28; 127(8):084503. PubMed ID: 17764265
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  • 17. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
    Gu C, Lustig S, Trout BL.
    J Phys Chem B; 2006 Jan 26; 110(3):1476-84. PubMed ID: 16471699
    [Abstract] [Full Text] [Related]

  • 18. Free energy of solvation from molecular dynamics simulations for low dielectric solvents.
    Gonçalves PF, Stassen H.
    J Comput Chem; 2003 Nov 15; 24(14):1758-65. PubMed ID: 12964194
    [Abstract] [Full Text] [Related]

  • 19. An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution.
    Fraternali F, Van Gunsteren WF.
    J Mol Biol; 1996 Mar 15; 256(5):939-48. PubMed ID: 8601844
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  • 20. New approach to free energy of solvation applying continuum models to molecular dynamics simulation.
    Gonçalves PF, Stassen H.
    J Comput Chem; 2002 May 15; 23(7):706-14. PubMed ID: 11948588
    [Abstract] [Full Text] [Related]

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