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Journal Abstract Search

551 related items for PubMed ID: 18282052

  • 1. Hydration free energy of a Model Lennard-Jones solute particle: microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models.
    Gruziel M, Rudnicki WR, Lesyng B.
    J Chem Phys; 2008 Feb 14; 128(6):064503. PubMed ID: 18282052
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  • 3. In silico prediction of drug solubility. 3. Free energy of solvation in pure amorphous matter.
    Lüder K, Lindfors L, Westergren J, Nordholm S, Kjellander R.
    J Phys Chem B; 2007 Jun 28; 111(25):7303-11. PubMed ID: 17550285
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  • 4. Calculation of the hydration free energy difference between pyridine and its methyl-substituted derivatives by computer simulation methods.
    Partay L, Jedlovszky P, Jancsó G.
    J Phys Chem B; 2005 Apr 28; 109(16):8097-102. PubMed ID: 16851946
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  • 5. Solubility of KF and NaCl in water by molecular simulation.
    Sanz E, Vega C.
    J Chem Phys; 2007 Jan 07; 126(1):014507. PubMed ID: 17212500
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  • 8. In silico prediction of drug solubility: 1. Free energy of hydration.
    Westergren J, Lindfors L, Höglund T, Lüder K, Nordholm S, Kjellander R.
    J Phys Chem B; 2007 Feb 22; 111(7):1872-82. PubMed ID: 17266351
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  • 9. MST continuum study of the hydration free energies of monovalent ionic species.
    Curutchet C, Bidon-Chanal A, Soteras I, Orozco M, Luque FJ.
    J Phys Chem B; 2005 Mar 03; 109(8):3565-74. PubMed ID: 16851394
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  • 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
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  • 12. Study of multipole contributions to the structure of water around ions in solution using the soft sticky dipole-quadrupole-octupole (SSDQO) model of water.
    Tan ML, Lucan L, Ichiye T.
    J Chem Phys; 2006 May 07; 124(17):174505. PubMed ID: 16689581
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  • 17. Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field.
    Lamoureux G, Roux B.
    J Phys Chem B; 2006 Feb 23; 110(7):3308-22. PubMed ID: 16494345
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  • 19. Local solvent density augmentation around a solute in supercritical solvent bath: 1. A mechanism explanation and a new phenomenon.
    Zhou S.
    J Phys Chem B; 2005 Apr 21; 109(15):7522-8. PubMed ID: 16851863
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  • 20. In silico prediction of drug solubility: 4. Will simple potentials suffice?
    Lüder K, Lindfors L, Westergren J, Nordholm S, Persson R, Pedersen M.
    J Comput Chem; 2009 Sep 21; 30(12):1859-71. PubMed ID: 19115279
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