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PUBMED FOR HANDHELDS

Journal Abstract Search


424 related items for PubMed ID: 18677707

  • 1. A molecular mechanics force field for lignin.
    Petridis L, Smith JC.
    J Comput Chem; 2009 Feb; 30(3):457-67. PubMed ID: 18677707
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  • 2. 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]

  • 3. 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]

  • 4. 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
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  • 6. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
    Mackerell AD, Feig M, Brooks CL.
    J Comput Chem; 2004 Aug 16; 25(11):1400-15. PubMed ID: 15185334
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  • 7. Multiple anharmonic vibrational probes of sugar structure and dynamics.
    Cai K, Wang J.
    J Phys Chem B; 2009 Feb 12; 113(6):1681-92. PubMed ID: 19152255
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  • 8. Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.
    Katagiri D, Fuji H, Neya S, Hoshino T.
    J Comput Chem; 2008 Sep 12; 29(12):1930-44. PubMed ID: 18366016
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  • 10. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N, Ma J.
    J Phys Chem A; 2008 Oct 09; 112(40):9854-67. PubMed ID: 18788721
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  • 16. Force-field modeling through quantum mechanical calculations: molecular dynamics simulations of a nematogenic molecule in its condensed phases.
    Cacelli I, Lami CF, Prampolini G.
    J Comput Chem; 2009 Feb 09; 30(3):366-78. PubMed ID: 18629805
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