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94 related items for PubMed ID: 25134583

  • 1. Structure and aggregation in model tetramethylurea solutions.
    Gupta R, Patey GN.
    J Chem Phys; 2014 Aug 14; 141(6):064502. PubMed ID: 25134583
    [Abstract] [Full Text] [Related]

  • 2. Aggregation in dilute aqueous tert-butyl alcohol solutions: insights from large-scale simulations.
    Gupta R, Patey GN.
    J Chem Phys; 2012 Jul 21; 137(3):034509. PubMed ID: 22830713
    [Abstract] [Full Text] [Related]

  • 3. Why the OPLS-AA force field cannot produce the β-hairpin structure of H1 peptide in solution when comparing with the GROMOS 43A1 force field?
    Cao Z, Liu L, Wang J.
    J Biomol Struct Dyn; 2011 Dec 21; 29(3):527-39. PubMed ID: 22066538
    [Abstract] [Full Text] [Related]

  • 4. Molecular dynamics simulations of sodium dodecyl sulfate micelles in water-the effect of the force field.
    Tang X, Koenig PH, Larson RG.
    J Phys Chem B; 2014 Apr 10; 118(14):3864-80. PubMed ID: 24620851
    [Abstract] [Full Text] [Related]

  • 5. Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal.
    Hu Z, Jiang J.
    J Comput Chem; 2010 Jan 30; 31(2):371-80. PubMed ID: 19479737
    [Abstract] [Full Text] [Related]

  • 6. Association and microheterogeneity in aqueous 2-butoxyethanol solutions.
    Gupta R, Patey GN.
    J Phys Chem B; 2011 Dec 29; 115(51):15323-31. PubMed ID: 22082133
    [Abstract] [Full Text] [Related]

  • 7. Exploring molecular insights into aggregation of hydrotrope sodium cumene sulfonate in aqueous solution: a molecular dynamics simulation study.
    Das S, Paul S.
    J Phys Chem B; 2015 Feb 19; 119(7):3142-54. PubMed ID: 25602712
    [Abstract] [Full Text] [Related]

  • 8. Rheological study on lysozyme/tetramethylurea viscoelastic matrices.
    da Silva MA, Arêas EP.
    Biophys Chem; 2002 Oct 16; 99(2):129-41. PubMed ID: 12377364
    [Abstract] [Full Text] [Related]

  • 9. Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly.
    Aliev AE, Courtier-Murias D.
    J Phys Chem B; 2010 Sep 30; 114(38):12358-75. PubMed ID: 20825228
    [Abstract] [Full Text] [Related]

  • 10. Temperature dependence of the hydrophobic hydration and interaction of simple solutes: an examination of five popular water models.
    Paschek D.
    J Chem Phys; 2004 Apr 08; 120(14):6674-90. PubMed ID: 15267560
    [Abstract] [Full Text] [Related]

  • 11. Molecular dynamics of DNA: comparison of force fields and terminal nucleotide definitions.
    Ricci CG, de Andrade AS, Mottin M, Netz PA.
    J Phys Chem B; 2010 Aug 05; 114(30):9882-93. PubMed ID: 20614923
    [Abstract] [Full Text] [Related]

  • 12. Peptide aggregation and solvent electrostriction in a simple zwitterionic dipeptide via molecular dynamics simulations.
    Tulip PR, Bates SP.
    J Chem Phys; 2009 Jul 07; 131(1):015103. PubMed ID: 19586124
    [Abstract] [Full Text] [Related]

  • 13. Influence of concentration and temperature on the dynamics of water in the hydrophobic hydration shell of tetramethylurea.
    Tielrooij KJ, Hunger J, Buchner R, Bonn M, Bakker HJ.
    J Am Chem Soc; 2010 Nov 10; 132(44):15671-8. PubMed ID: 20949942
    [Abstract] [Full Text] [Related]

  • 14. Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength.
    Zhang C, Raugei S, Eisenberg B, Carloni P.
    J Chem Theory Comput; 2010 Jul 13; 6(7):2167-75. PubMed ID: 26615943
    [Abstract] [Full Text] [Related]

  • 15. Poly(vinyl alcohol) oligomer in dilute aqueous solution: a comparative molecular dynamics simulation study.
    Tesei G, Paradossi G, Chiessi E.
    J Phys Chem B; 2012 Aug 23; 116(33):10008-19. PubMed ID: 22838647
    [Abstract] [Full Text] [Related]

  • 16. On the origin of proton mobility suppression in aqueous solutions of amphiphiles.
    Xu J, Yamashita T, Agmon N, Voth GA.
    J Phys Chem B; 2013 Dec 12; 117(49):15426-35. PubMed ID: 23822723
    [Abstract] [Full Text] [Related]

  • 17. Effects of urea, tetramethyl urea, and trimethylamine N-oxide on aqueous solution structure and solvation of protein backbones: a molecular dynamics simulation study.
    Wei H, Fan Y, Gao YQ.
    J Phys Chem B; 2010 Jan 14; 114(1):557-68. PubMed ID: 19928871
    [Abstract] [Full Text] [Related]

  • 18. Strong slowing down of water reorientation in mixtures of water and tetramethylurea.
    Rezus YL, Bakker HJ.
    J Phys Chem A; 2008 Mar 20; 112(11):2355-61. PubMed ID: 18275169
    [Abstract] [Full Text] [Related]

  • 19. Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models.
    Hess B, van der Vegt NF.
    J Phys Chem B; 2006 Sep 07; 110(35):17616-26. PubMed ID: 16942107
    [Abstract] [Full Text] [Related]

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