Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations (Short Report)

DOI: 10.4236/cc.2014.22003   PDF   HTML   XML   3,619 Downloads   8,942 Views   Citations

Abstract

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

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Dudev, T. (2014) Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations. Computational Chemistry, 2, 19-21. doi: 10.4236/cc.2014.22003.

Conflicts of Interest

The authors declare no conflicts of interest.

References

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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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