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Journal Abstract Search

237 related items for PubMed ID: 16851946

  • 41. 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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  • 42. 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
    [Abstract] [Full Text] [Related]

  • 43. Can one predict protein stability? An attempt to do so for residue 133 of T4 lysozyme using a combination of free energy derivatives, PROFEC, and free energy perturbation methods.
    Wang L, Veenstra DL, Radmer RJ, Kollman PA.
    Proteins; 1998 Sep 01; 32(4):438-58. PubMed ID: 9726415
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  • 44. A modified TIP3P water potential for simulation with Ewald summation.
    Price DJ, Brooks CL.
    J Chem Phys; 2004 Nov 22; 121(20):10096-103. PubMed ID: 15549884
    [Abstract] [Full Text] [Related]

  • 45. Computational assessment of the entropy of solvation of small-sized hydrophobic entities.
    Mahajan R, Kranzlmüller D, Volkert J, Hansmann UH, Höfinger S.
    Phys Chem Chem Phys; 2006 Dec 21; 8(47):5515-21. PubMed ID: 17136266
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  • 46. 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]

  • 47. Unorthodox uses of Bennett's acceptance ratio method.
    König G, Bruckner S, Boresch S.
    J Comput Chem; 2009 Aug 28; 30(11):1712-8. PubMed ID: 19373838
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  • 49. Studies of the thermodynamic properties of hydrogen gas in bulk water.
    Sabo D, Varma S, Martin MG, Rempe SB.
    J Phys Chem B; 2008 Jan 24; 112(3):867-76. PubMed ID: 18154326
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  • 50. Absolute free-energy calculations of liquids using a harmonic reference state.
    Tyka MD, Sessions RB, Clarke AR.
    J Phys Chem B; 2007 Aug 16; 111(32):9571-80. PubMed ID: 17655215
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  • 52. Entropy-energy decomposition from nonequilibrium work trajectories.
    Nummela J, Yassin F, Andricioaei I.
    J Chem Phys; 2008 Jan 14; 128(2):024104. PubMed ID: 18205440
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  • 56. An improved cluster pair correlation method for obtaining the absolute proton hydration energy and enthalpy evaluated with an expanded data set.
    Donald WA, Williams ER.
    J Phys Chem B; 2010 Oct 21; 114(41):13189-200. PubMed ID: 20863092
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  • 58. Solute rotational dynamics at the water liquid/vapor interface.
    Benjamin I.
    J Chem Phys; 2007 Nov 28; 127(20):204712. PubMed ID: 18052451
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  • 59. Hydration of simple amides. FTIR spectra of HDO and theoretical studies.
    Panuszko A, Gojło E, Zielkiewicz J, Smiechowski M, Krakowiak J, Stangret J.
    J Phys Chem B; 2008 Feb 28; 112(8):2483-93. PubMed ID: 18247601
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  • 60. Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations.
    Steinbrecher T, Mobley DL, Case DA.
    J Chem Phys; 2007 Dec 07; 127(21):214108. PubMed ID: 18067350
    [Abstract] [Full Text] [Related]

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