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Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

DOI: 10.4236/cc.2014.22003, PP. 19-21

Keywords: Modeling Metal, Quantum Chemical Calculations

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Abstract:

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

References

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[4]  Dudev, T. and Lim, C. (2014) Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins. Chemical Reviews, 114, 538-556.
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[5]  Dudev, T., Lin, Y.-L., Dudev, M. and Lim, C. (2003) First-Second Shell Interactions in Metal Binding Sites inProteins: A PDB Survey and DFT/CDM Calculations. Journal of the American Chemical Society, 125, 3168-3180. http://dx.doi.org/10.1021/ja0209722
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[8]  Dudev, M., Wang, J., Dudev, T. and Lim, C. (2006) Factors Governing the Metal Coordination Number in Metal Complexes from Cambridge Structural Database Analyses. Journal of Physical Chemistry B, 110, 1889-1895. http://dx.doi.org/10.1021/jp054975n
[9]  Dudev, T. and Lim, C. (2011) Competition between Li+ and Mg2+ in Metalloproteins. Implications for Lithium Therapy. Journal of the American Chemical Society, 133, 9506-9515.
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[10]  Dudev, T. and Lim, C. (2009) Determinants of K+ vs Na+ Selectivity in Potassium Channels. Journal of the American Chemical Society, 131, 8092-8101. http://dx.doi.org/10.1021/ja900168k

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