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Journal Abstract Search

138 related items for PubMed ID: 15599950

  • 1. Theoretical calculations of homoconjugation equilibrium constants in systems modeling acid-base interactions in side chains of biomolecules using the potential of mean force.
    Makowska J, Makowski M, Liwo A, Chmurzyński L.
    J Comput Chem; 2005 Feb; 26(3):235-42. PubMed ID: 15599950
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  • 2. Potential of mean force of hydrophobic association: dependence on solute size.
    Sobolewski E, Makowski M, Czaplewski C, Liwo A, Ołdziej S, Scheraga HA.
    J Phys Chem B; 2007 Sep 13; 111(36):10765-74. PubMed ID: 17713937
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  • 5. Stability of nucleic acid base pairs in organic solvents: molecular dynamics, molecular dynamics/quenching, and correlated ab initio study.
    Zendlová L, Hobza P, Kabelác M.
    J Phys Chem B; 2007 Mar 15; 111(10):2591-609. PubMed ID: 17302446
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  • 6. Variation of atomic charges on proton transfer in strong hydrogen bonds: the case of anionic and neutral imidazole-acetate complexes.
    Pacios LF, Gómez PC, Gálvez O.
    J Comput Chem; 2006 Nov 15; 27(14):1650-61. PubMed ID: 16900495
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  • 7. Metal cation complexation with natural organic matter in aqueous solutions: molecular dynamics simulations and potentials of mean force.
    Iskrenova-Tchoukova E, Kalinichev AG, Kirkpatrick RJ.
    Langmuir; 2010 Oct 19; 26(20):15909-19. PubMed ID: 20857966
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  • 9. Theoretical studies of the tautomeric equilibria for five-member N-heterocycles in the gas phase and in solution.
    Nagy PI, Tejada FR, Messer WS.
    J Phys Chem B; 2005 Dec 01; 109(47):22588-602. PubMed ID: 16853941
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  • 13. Hydration and stability of nucleic acid bases and base pairs.
    Kabelác M, Hobza P.
    Phys Chem Chem Phys; 2007 Feb 28; 9(8):903-17. PubMed ID: 17301881
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  • 16. How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?
    Villa A, Fan H, Wassenaar T, Mark AE.
    J Phys Chem B; 2007 May 31; 111(21):6015-25. PubMed ID: 17489626
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  • 18. Solvation in binary mixtures of water and polar aprotic solvents: theoretical calculations of the concentrations of solvent-water hydrogen-bonded species and application to thermosolvatochromism of polarity probes.
    Silva PL, Bastos EL, El Seoud OA.
    J Phys Chem B; 2007 Jun 07; 111(22):6173-80. PubMed ID: 17503801
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  • 19. Molecular dynamics study of the solvation of an alpha-helical transmembrane peptide by DMSO.
    Duarte AM, van Mierlo CP, Hemminga MA.
    J Phys Chem B; 2008 Jul 24; 112(29):8664-71. PubMed ID: 18582096
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  • 20. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
    Wu DY, Duan S, Liu XM, Xu YC, Jiang YX, Ren B, Xu X, Lin SH, Tian ZQ.
    J Phys Chem A; 2008 Feb 14; 112(6):1313-21. PubMed ID: 18215023
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