CC  Vol.2 No.2 , April 2014
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
Author(s) Todor Dudev*
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

[1]   Frausto da Silva, J.J.R. and Williams, R.J.P. (1991) The Biological Chemistry of the Elements. Oxford University Press, Oxford.

[2]   Lippard, S.J. and Berg, J.M. (1994) Principles of Bioinorganic Chemistry. University Science Books, Mill Valley.

[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.
http://dx.doi.org/10.1016/S0959-440X(94)90317-4

[7]   Marcus, Y. (1988) Ionic Radii in Aqueous Solutions. Chemical Reviews, 88, 1475-1498.
http://dx.doi.org/10.1021/cr00090a003

[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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