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PUBMED FOR HANDHELDS

Journal Abstract Search


684 related items for PubMed ID: 14709107

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  • 2. Concerted molecular displacements in a thermally-induced solid-state transformation in crystals of DL-norleucine.
    Anwar J, Tuble SC, Kendrick J.
    J Am Chem Soc; 2007 Mar 07; 129(9):2542-7. PubMed ID: 17286403
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  • 4. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.
    Mobley DL, Dumont E, Chodera JD, Dill KA.
    J Phys Chem B; 2007 Mar 08; 111(9):2242-54. PubMed ID: 17291029
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  • 5. 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 08; 29(12):1930-44. PubMed ID: 18366016
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  • 7. The thermotropic phase behaviour and phase structure of a homologous series of racemic beta-D-galactosyl dialkylglycerols studied by differential scanning calorimetry and X-ray diffraction.
    Mannock DA, Collins MD, Kreichbaum M, Harper PE, Gruner SM, McElhaney RN.
    Chem Phys Lipids; 2007 Jul 08; 148(1):26-50. PubMed ID: 17524381
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  • 8. 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 08; 25(11):1400-15. PubMed ID: 15185334
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  • 13. 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 Aug 08; 13(29):8139-52. PubMed ID: 17763506
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  • 15. Structure of Ca(BD4)2 beta-phase from combined neutron and synchrotron X-ray powder diffraction data and density functional calculations.
    Buchter F, Łodziana Z, Remhof A, Friedrichs O, Borgschulte A, Mauron P, Züttel A, Sheptyakov D, Barkhordarian G, Bormann R, Chłopek K, Fichtner M, Sørby M, Riktor M, Hauback B, Orimo S.
    J Phys Chem B; 2008 Jul 10; 112(27):8042-8. PubMed ID: 18553898
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  • 17. Crystal symmetry and the reversibility of martensitic transformations.
    Bhattacharya K, Conti S, Zanzotto G, Zimmer J.
    Nature; 2004 Mar 04; 428(6978):55-9. PubMed ID: 14999277
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  • 19. 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 04; 26(8):818-26. PubMed ID: 15812779
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