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Journal Abstract Search

241 related items for PubMed ID: 23378634

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  • 3. A partition coefficient calculation method with the SFED model.
    In Y, Chai HH, No KT.
    J Chem Inf Model; 2005; 45(2):254-63. PubMed ID: 15807486
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  • 4. 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
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  • 6. 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
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  • 7. 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 05; 1(6):1133-52. PubMed ID: 26631657
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  • 10. 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 05; 26(1):368-77. PubMed ID: 17317248
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  • 11. 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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  • 12. Comparison of two simulation methods to compute solvation free energies and partition coefficients.
    Yang L, Ahmed A, Sandler SI.
    J Comput Chem; 2013 Feb 05; 34(4):284-93. PubMed ID: 23109246
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  • 13. Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge.
    Purisima EO, Corbeil CR, Sulea T.
    J Comput Aided Mol Des; 2010 Apr 05; 24(4):373-83. PubMed ID: 20414699
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  • 14. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
    Guvench O, Weiser J, Shenkin P, Kolossváry I, Still WC.
    J Comput Chem; 2002 Jan 30; 23(2):214-21. PubMed ID: 11924735
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  • 15. Nonpolar Solvation Free Energy from Proximal Distribution Functions.
    Ou SC, Drake JA, Pettitt BM.
    J Phys Chem B; 2017 Apr 20; 121(15):3555-3564. PubMed ID: 27992228
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  • 16. Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding.
    Katkova EV, Onufriev AV, Aguilar B, Sulimov VB.
    J Mol Graph Model; 2017 Mar 20; 72():70-80. PubMed ID: 28064081
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  • 17. 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
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  • 18. Differential geometry based solvation model II: Lagrangian formulation.
    Chen Z, Baker NA, Wei GW.
    J Math Biol; 2011 Dec 01; 63(6):1139-200. PubMed ID: 21279359
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  • 19. 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
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  • 20. 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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