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Journal Abstract Search

242 related items for PubMed ID: 16028234

  • 1. A molecular mechanics force field for biologically important sterols.
    Cournia Z, Smith JC, Ullmann GM.
    J Comput Chem; 2005 Oct; 26(13):1383-99. PubMed ID: 16028234
    [Abstract] [Full Text] [Related]

  • 2. Force-field development and molecular dynamics simulations of ferrocene-peptide conjugates as a scaffold for hydrogenase mimics.
    de Hatten X, Cournia Z, Huc I, Smith JC, Metzler-Nolte N.
    Chemistry; 2007 Oct; 13(29):8139-52. PubMed ID: 17763506
    [Abstract] [Full Text] [Related]

  • 3. A molecular mechanics force field for lignin.
    Petridis L, Smith JC.
    J Comput Chem; 2009 Feb; 30(3):457-67. PubMed ID: 18677707
    [Abstract] [Full Text] [Related]

  • 4. Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study.
    Cournia Z, Ullmann GM, Smith JC.
    J Phys Chem B; 2007 Feb 22; 111(7):1786-801. PubMed ID: 17261058
    [Abstract] [Full Text] [Related]

  • 5. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
    [Abstract] [Full Text] [Related]

  • 6. Development of the force field parameters for phosphoimidazole and phosphohistidine.
    Kosinsky YA, Volynsky PE, Lagant P, Vergoten G, Suzuki E, Arseniev AS, Efremov RG.
    J Comput Chem; 2004 Aug 16; 25(11):1313-21. PubMed ID: 15185324
    [Abstract] [Full Text] [Related]

  • 7. Classical force field parameters for the heme prosthetic group of cytochrome c.
    Autenrieth F, Tajkhorshid E, Baudry J, Luthey-Schulten Z.
    J Comput Chem; 2004 Oct 16; 25(13):1613-22. PubMed ID: 15264255
    [Abstract] [Full Text] [Related]

  • 8. New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.
    Oda A, Yamaotsu N, Hirono S.
    J Comput Chem; 2005 Jun 16; 26(8):818-26. PubMed ID: 15812779
    [Abstract] [Full Text] [Related]

  • 9. Molecular mechanics force field parameterization of the fluorescent probe rhodamine 6G using automated frequency matching.
    Vaiana AC, Schulz A, Wolfrum J, Sauer M, Smith JC.
    J Comput Chem; 2003 Apr 15; 24(5):632-9. PubMed ID: 12632478
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  • 12. Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.
    Rungrotmongkol T, Mulholland AJ, Hannongbua S.
    J Mol Graph Model; 2007 Jul 15; 26(1):1-13. PubMed ID: 17046299
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  • 19. Modulation of amphotericin B membrane interaction by cholesterol and ergosterol--a molecular dynamics study.
    Czub J, Baginski M.
    J Phys Chem B; 2006 Aug 24; 110(33):16743-53. PubMed ID: 16913814
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  • 20. A new GROMOS force field for hexopyranose-based carbohydrates.
    Lins RD, Hünenberger PH.
    J Comput Chem; 2005 Oct 24; 26(13):1400-12. PubMed ID: 16035088
    [Abstract] [Full Text] [Related]

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