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182 related items for PubMed ID: 16471760

  • 1. Factors governing the metal coordination number in metal complexes from Cambridge Structural Database analyses.
    Dudev M, Wang J, Dudev T, Lim C.
    J Phys Chem B; 2006 Feb 02; 110(4):1889-95. PubMed ID: 16471760
    [Abstract] [Full Text] [Related]

  • 2. Factors governing metal-ligand distances and coordination geometries of metal complexes.
    Kuppuraj G, Dudev M, Lim C.
    J Phys Chem B; 2009 Mar 05; 113(9):2952-60. PubMed ID: 19708219
    [Abstract] [Full Text] [Related]

  • 3. Factors governing the metal coordination number in isolated group IA and IIA metal hydrates.
    Tunell I, Lim C.
    Inorg Chem; 2006 Jun 12; 45(12):4811-9. PubMed ID: 16749846
    [Abstract] [Full Text] [Related]

  • 4. Mononuclear versus binuclear metal-binding sites: metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations.
    Yang TY, Dudev T, Lim C.
    J Am Chem Soc; 2008 Mar 26; 130(12):3844-52. PubMed ID: 18303888
    [Abstract] [Full Text] [Related]

  • 5. A DFT/CDM Study of metal-carboxylate interactions in metalloproteins: factors governing the maximum number of metal-bound carboxylates.
    Dudev T, Lim C.
    J Am Chem Soc; 2006 Feb 08; 128(5):1553-61. PubMed ID: 16448126
    [Abstract] [Full Text] [Related]

  • 6. Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination.
    Dokmanić I, Sikić M, Tomić S.
    Acta Crystallogr D Biol Crystallogr; 2008 Mar 08; 64(Pt 3):257-63. PubMed ID: 18323620
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Strong metal ion size based selectivity of the highly preorganized ligand PDA (1,10-phenanthroline-2,9-dicarboxylic acid) with trivalent metal ions. A crystallographic, fluorometric, and thermodynamic study.
    Williams NJ, Dean NE, VanDerveer DG, Luckay RC, Hancock RD.
    Inorg Chem; 2009 Aug 17; 48(16):7853-63. PubMed ID: 19603801
    [Abstract] [Full Text] [Related]

  • 9. Characterization of ligand-functionalized microcantilevers for metal ion sensing.
    Dutta P, Chapman PJ, Datskos PG, Sepaniak MJ.
    Anal Chem; 2005 Oct 15; 77(20):6601-8. PubMed ID: 16223246
    [Abstract] [Full Text] [Related]

  • 10. Competition between protein ligands and cytoplasmic inorganic anions for the metal cation: a DFT/CDM study.
    Dudev T, Lim C.
    J Am Chem Soc; 2006 Aug 16; 128(32):10541-8. PubMed ID: 16895422
    [Abstract] [Full Text] [Related]

  • 11. Dissecting the general physicochemical properties of noncovalent interactions involving tyrosine side chain as a second-shell ligand in biomolecular metal-binding site mimetics: an experimental study combining fluorescence, 13C NMR spectroscopy and ESI mass spectrometry.
    Yang CM, Li X, Wei W, Li Y, Duan Z, Zheng J, Huang T.
    Chemistry; 2007 Aug 16; 13(11):3120-30. PubMed ID: 17201001
    [Abstract] [Full Text] [Related]

  • 12. Modeling of metal interaction geometries for protein-ligand docking.
    Seebeck B, Reulecke I, Kämper A, Rarey M.
    Proteins; 2008 May 15; 71(3):1237-54. PubMed ID: 18041759
    [Abstract] [Full Text] [Related]

  • 13. 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 15; 100(3):374-84. PubMed ID: 16455140
    [Abstract] [Full Text] [Related]

  • 14. Flexibility of metal binding sites in proteins on a database scale.
    Babor M, Greenblatt HM, Edelman M, Sobolev V.
    Proteins; 2005 May 01; 59(2):221-30. PubMed ID: 15726624
    [Abstract] [Full Text] [Related]

  • 15. Metal-binding affinity and selectivity of nonstandard natural amino acid residues from DFT/CDM calculations.
    Dudev T, Lim C.
    J Phys Chem B; 2009 Aug 27; 113(34):11754-64. PubMed ID: 19642664
    [Abstract] [Full Text] [Related]

  • 16. DFT study on the selectivity of complexation of metal cations with a dioxadithia crown ether ligand.
    Korchowiec J, Korchowiec B, Priebe W, Rogalska E.
    J Phys Chem A; 2008 Dec 25; 112(51):13633-40. PubMed ID: 19055400
    [Abstract] [Full Text] [Related]

  • 17. Infrared multiple photon dissociation spectroscopy of cationized asparagine: effects of metal cation size on gas-phase conformation.
    Heaton AL, Bowman VN, Oomens J, Steill JD, Armentrout PB.
    J Phys Chem A; 2009 May 14; 113(19):5519-30. PubMed ID: 19368405
    [Abstract] [Full Text] [Related]

  • 18. Toward understanding metal-binding specificity of porphyrin: a conceptual density functional theory study.
    Feng XT, Yu JG, Lei M, Fang WH, Liu S.
    J Phys Chem B; 2009 Oct 08; 113(40):13381-9. PubMed ID: 19751061
    [Abstract] [Full Text] [Related]

  • 19. Crystallochemical formula as a tool for describing metal-ligand complexes - a pyridine-2,6-dicarboxylate example.
    Serezhkin VN, Vologzhanina AV, Serezhkina LB, Smirnova ES, Grachova EV, Ostrova PV, Antipin MY.
    Acta Crystallogr B; 2009 Feb 08; 65(Pt 1):45-53. PubMed ID: 19155558
    [Abstract] [Full Text] [Related]

  • 20. Dynamic equilibria in solvent-mediated anion, cation and ligand exchange in transition-metal coordination polymers: solid-state transfer or recrystallisation?
    Cui X, Khlobystov AN, Chen X, Marsh DH, Blake AJ, Lewis W, Champness NR, Roberts CJ, Schröder M.
    Chemistry; 2009 Sep 07; 15(35):8861-73. PubMed ID: 19630015
    [Abstract] [Full Text] [Related]

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