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Journal Abstract Search

85 related items for PubMed ID: 30465571

  • 1. Factors governing when a metal-bound water is deprotonated in proteins.
    Grauffel C, Lim C.
    Phys Chem Chem Phys; 2018 Dec 05; 20(47):29625-29636. PubMed ID: 30465571
    [Abstract] [Full Text] [Related]

  • 2. Factors Governing the Bridging Water Protonation State in Polynuclear Mg(2+) Proteins.
    Grauffel C, Lim C.
    J Phys Chem B; 2016 Mar 03; 120(8):1759-70. PubMed ID: 26560089
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. An efficient protocol for computing the pKa of Zn-bound water.
    Grauffel C, Chu B, Lim C.
    Phys Chem Chem Phys; 2018 Dec 05; 20(47):29637-29647. PubMed ID: 30444500
    [Abstract] [Full Text] [Related]

  • 5. 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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  • 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
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  • 9. Influence of metal cations on the intramolecular hydrogen-bonding network and pKa in phosphorylated compounds.
    Yang P, Spiess B, Murthy PP, Brown RE.
    J Phys Chem A; 2007 May 10; 111(18):3602-12. PubMed ID: 17432837
    [Abstract] [Full Text] [Related]

  • 10. 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
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  • 12. SuperStar: improved knowledge-based interaction fields for protein binding sites.
    Verdonk ML, Cole JC, Watson P, Gillet V, Willett P.
    J Mol Biol; 2001 Mar 30; 307(3):841-59. PubMed ID: 11273705
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  • 14. Impact of ligand protonation on eigen-type metal complexation kinetics in aqueous systems.
    van Leeuwen HP, Town RM, Buffle J.
    J Phys Chem A; 2007 Mar 22; 111(11):2115-21. PubMed ID: 17388287
    [Abstract] [Full Text] [Related]

  • 15. Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions.
    Ames W, Pantazis DA, Krewald V, Cox N, Messinger J, Lubitz W, Neese F.
    J Am Chem Soc; 2011 Dec 14; 133(49):19743-57. PubMed ID: 22092013
    [Abstract] [Full Text] [Related]

  • 16. Metal-substrate interactions facilitate the catalytic activity of the bacterial phosphotriesterase.
    Hong SB, Raushel FM.
    Biochemistry; 1996 Aug 20; 35(33):10904-12. PubMed ID: 8718883
    [Abstract] [Full Text] [Related]

  • 17. Electrostatic contributions to residue-specific protonation equilibria and proton binding capacitance for a small protein.
    Lindman S, Linse S, Mulder FA, André I.
    Biochemistry; 2006 Nov 28; 45(47):13993-4002. PubMed ID: 17115694
    [Abstract] [Full Text] [Related]

  • 18. Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
    Huang CC, Lesburg CA, Kiefer LL, Fierke CA, Christianson DW.
    Biochemistry; 1996 Mar 19; 35(11):3439-46. PubMed ID: 8639494
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