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Journal Abstract Search

834 related items for PubMed ID: 8601844

  • 41. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R, Duvail M, Vitorge P, Cartailler T, Tortajada J, Chillemi G, D'Angelo P, Gaigeot MP.
    J Phys Chem A; 2006 Dec 07; 110(48):13081-8. PubMed ID: 17134169
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  • 42. Molecular dynamics simulation and thermodynamic modeling of the self-assembly of the triterpenoids asiatic acid and madecassic acid in aqueous solution.
    Stephenson BC, Goldsipe A, Blankschtein D.
    J Phys Chem B; 2008 Feb 28; 112(8):2357-71. PubMed ID: 18247591
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  • 43. Solvation dynamics of Hoechst 33258 in water: an equilibrium and nonequilibrium molecular dynamics study.
    Furse KE, Lindquist BA, Corcelli SA.
    J Phys Chem B; 2008 Mar 13; 112(10):3231-9. PubMed ID: 18271577
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  • 44. Incorporating receptor flexibility in the molecular design of protein interfaces.
    Li L, Liang S, Pilcher MM, Meroueh SO.
    Protein Eng Des Sel; 2009 Sep 13; 22(9):575-86. PubMed ID: 19643976
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  • 45. 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
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  • 52. An explicit quantum chemical method for modeling large solvation shells applied to aminocoumarin C151.
    Neugebauer J, Jacob CR, Wesolowski TA, Baerends EJ.
    J Phys Chem A; 2005 Sep 01; 109(34):7805-14. PubMed ID: 16834158
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  • 53. Molecular dynamics simulations of aqueous pullulan oligomers.
    Jaud S, Tobias DJ, Brant DA.
    Biomacromolecules; 2005 Sep 01; 6(3):1239-51. PubMed ID: 15877338
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  • 54. Comparison of various implicit solvent models in molecular dynamics simulations of immunoglobulin G light chain dimer.
    Król M.
    J Comput Chem; 2003 Apr 15; 24(5):531-46. PubMed ID: 12632469
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  • 55. Molecular anatomy of preferential interaction coefficients by elucidating protein solvation in mixed solvents: methodology and application for lysozyme in aqueous glycerol.
    Vagenende V, Yap MG, Trout BL.
    J Phys Chem B; 2009 Aug 27; 113(34):11743-53. PubMed ID: 19653677
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  • 56. Direct observation of salt effects on molecular interactions through explicit-solvent molecular dynamics simulations: differential effects on electrostatic and hydrophobic interactions and comparisons to Poisson-Boltzmann theory.
    Thomas AS, Elcock AH.
    J Am Chem Soc; 2006 Jun 21; 128(24):7796-806. PubMed ID: 16771493
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  • 58. 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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  • 59. Calculation of the free energy of solvation for neutral analogs of amino acid side chains.
    Villa A, Mark AE.
    J Comput Chem; 2002 Apr 15; 23(5):548-53. PubMed ID: 11948581
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