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Journal Abstract Search

91 related items for PubMed ID: 26560089

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  • 2. Protonation of a hydroxide anion bridging two divalent magnesium cations in water probed by first-principles metadynamics simulation.
    Park JM, Boero M.
    J Phys Chem B; 2010 Sep 02; 114(34):11102-9. PubMed ID: 20695500
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  • 3. A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions.
    Rezabal E, Mercero JM, Lopez X, Ugalde JM.
    J Inorg Biochem; 2006 Mar 02; 100(3):374-84. PubMed ID: 16455140
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  • 5. First-second shell interactions in metal binding sites in proteins: a PDB survey and DFT/CDM calculations.
    Dudev T, Lin YL, Dudev M, Lim C.
    J Am Chem Soc; 2003 Mar 12; 125(10):3168-80. PubMed ID: 12617685
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  • 9. Factors governing the protonation state of Zn-bound histidine in proteins: a DFT/CDM study.
    Lin YL, Lim C.
    J Am Chem Soc; 2004 Mar 03; 126(8):2602-12. PubMed ID: 14982470
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  • 10. Factors governing the protonation state of cysteines in proteins: an Ab initio/CDM study.
    Dudev T, Lim C.
    J Am Chem Soc; 2002 Jun 12; 124(23):6759-66. PubMed ID: 12047197
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  • 13. Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase.
    Kästner J, Hemmen S, Blöchl PE.
    J Chem Phys; 2005 Aug 15; 123(7):074306. PubMed ID: 16229569
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  • 16. Structure and bonding of vanadium(V) complexes with hydroxyurea in aqueous solution: density functional theory investigations of isomers and intramolecular rearrangements.
    Vrcek IV, Birus M, Bühl M.
    Inorg Chem; 2007 Feb 19; 46(4):1488-501. PubMed ID: 17249657
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  • 18. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR, Cukrowski I, Marques HM.
    J Phys Chem A; 2008 Oct 23; 112(42):10657-66. PubMed ID: 18823109
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  • 19. A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: application to E. coli ribonuclease H1.
    Babu CS, Dudev T, Casareno R, Cowan JA, Lim C.
    J Am Chem Soc; 2003 Aug 06; 125(31):9318-28. PubMed ID: 12889961
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