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 CC  Vol.2 No.2 , April 2014
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
Abstract: Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
Cite this paper: Dudev, T. (2014) Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations. Computational Chemistry, 2, 19-21. doi: 10.4236/cc.2014.22003.
References

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[3]   Bertini, I., Sigel, A. and Sigel, H. (2001) Handbook on Metalloproteins. Marcel Dekker, New York.

[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.
http://dx.doi.org/10.1021/cr4004665

[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

[6]   Jernigan, R., Raghunathan, G. and Bahar, I. (1994) Characterization of Interactions and Metal-Ion Binding Sites in Proteins. Current Opinion in Structural Biology, 4, 256-263.
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[7]   Marcus, Y. (1988) Ionic Radii in Aqueous Solutions. Chemical Reviews, 88, 1475-1498.
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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.
http://dx.doi.org/10.1021/ja201985s

[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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