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Journal Abstract Search

608 related items for PubMed ID: 12617685

  • 1. 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]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. Factors governing the substitution of La3+ for Ca2+ and Mg2+ in metalloproteins: a DFT/CDM study.
    Dudev T, Chang LY, Lim C.
    J Am Chem Soc; 2005 Mar 23; 127(11):4091-103. PubMed ID: 15771547
    [Abstract] [Full Text] [Related]

  • 5. Differential effects of the Zn-His-Bkb vs Zn-His-[Asp/Glu] triad on Zn-core stability and reactivity.
    Lin YL, Lee YM, Lim C.
    J Am Chem Soc; 2005 Aug 17; 127(32):11336-47. PubMed ID: 16089463
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. 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]

  • 8. 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 May 01; 13(11):3120-30. PubMed ID: 17201001
    [Abstract] [Full Text] [Related]

  • 9. Insights into intramolecular Trp and His side-chain orientation and stereospecific π interactions surrounding metal centers: an investigation using protein metal-site mimicry in solution.
    Yang CM, Zhang J.
    Chemistry; 2010 Sep 17; 16(35):10854-65. PubMed ID: 20669189
    [Abstract] [Full Text] [Related]

  • 10. Cys(x)His(y)-Zn2+ interactions: thiol vs. thiolate coordination.
    Simonson T, Calimet N.
    Proteins; 2002 Oct 01; 49(1):37-48. PubMed ID: 12211014
    [Abstract] [Full Text] [Related]

  • 11. Femtomolar Zn(II) affinity in a peptide-based ligand designed to model thiolate-rich metalloprotein active sites.
    Petros AK, Reddi AR, Kennedy ML, Hyslop AG, Gibney BR.
    Inorg Chem; 2006 Dec 11; 45(25):9941-58. PubMed ID: 17140191
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 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 16; 100(3):374-84. PubMed ID: 16455140
    [Abstract] [Full Text] [Related]

  • 14. All-electron calculations of the nucleation structures in metal-induced zinc-finger folding: role of the Peptide backbone.
    Dudev T, Lim C.
    J Am Chem Soc; 2007 Oct 17; 129(41):12497-504. PubMed ID: 17883271
    [Abstract] [Full Text] [Related]

  • 15. 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]

  • 16. Density functional complexation study of metal ions with cysteine.
    Pesonen H, Aksela R, Laasonen K.
    J Phys Chem A; 2010 Jan 14; 114(1):466-73. PubMed ID: 19957987
    [Abstract] [Full Text] [Related]

  • 17. Aromatic interactions in unusual backbone nitrogen-coordinated zinc peptide complexes: a crystallographic and spectroscopic study.
    Novokmet S, Heinemann FW, Zahl A, Alsfasser R.
    Inorg Chem; 2005 Jun 27; 44(13):4796-805. PubMed ID: 15962988
    [Abstract] [Full Text] [Related]

  • 18. Enhanced metal ion selectivity of 2,9-di-(pyrid-2-yl)-1,10-phenanthroline and its use as a fluorescent sensor for cadmium(II).
    Cockrell GM, Zhang G, VanDerveer DG, Thummel RP, Hancock RD.
    J Am Chem Soc; 2008 Jan 30; 130(4):1420-30. PubMed ID: 18177045
    [Abstract] [Full Text] [Related]

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