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Journal Abstract Search

227 related items for PubMed ID: 16463371

  • 1. Computation of hydration free energies of organic solutes with an implicit water model.
    Basilevsky MV, Leontyev IV, Luschekina SV, Kondakova OA, Sulimov VB.
    J Comput Chem; 2006 Apr 15; 27(5):552-70. PubMed ID: 16463371
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  • 2. 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
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  • 5. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
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  • 8. 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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  • 11. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
    Reif MM, Hünenberger PH.
    J Chem Phys; 2011 Apr 14; 134(14):144104. PubMed ID: 21495739
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  • 12. Prediction of the aqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis.
    Michielan L, Bacilieri M, Kaseda C, Moro S.
    Bioorg Med Chem; 2008 May 15; 16(10):5733-42. PubMed ID: 18406153
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  • 13. 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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  • 20. Applicability of a continuum solvation model to the octanol water transfer: CFF91 based model for amino acids.
    Schmidt AB, Fine RM.
    Biopolymers; 1995 Nov 06; 36(5):599-605. PubMed ID: 7578951
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