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Journal Abstract Search

160 related items for PubMed ID: 12047197

  • 1. 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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  • 2. 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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  • 3. 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 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
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  • 11. 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 23; 100(3):374-84. PubMed ID: 16455140
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  • 12. 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
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  • 13. Zn protein simulations including charge transfer and local polarization effects.
    Sakharov DV, Lim C.
    J Am Chem Soc; 2005 Apr 06; 127(13):4921-9. PubMed ID: 15796557
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  • 16. 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
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  • 19. 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
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