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Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

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DOI: 10.4236/cc.2014.22003    3,467 Downloads   8,756 Views   Citations
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ABSTRACT

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

Conflicts of Interest

The authors declare no conflicts of interest.

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.
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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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