Research ArticleOpen AccessGoogle Scholar indexed
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
Faculty of Chemistry and Pharmacy, University of Sofia, Sofia, Bulgaria
- 1 Faculty of Chemistry and Pharmacy, University of Sofia, Sofia, Bulgaria
Computational Chemistry·Volume 02, Issue 2·Pages 19–21·Published 26 March 2014·DOI10.4236/cc.2014.22003
Download PDF
Copy link · social · email
Abstract
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
KeywordsModeling MetalQuantum Chemical Calculations
- Frausto da Silva, J.J.R. and Williams, R.J.P. (1991) The Biological Chemistry of the Elements. Oxford University Press, Oxford.
- Lippard, S.J. and Berg, J.M. (1994) Principles of Bioinorganic Chemistry. University Science Books, Mill Valley.
- Bertini, I., Sigel, A. and Sigel, H. (2001) Handbook on Metalloproteins. Marcel Dekker, New York.
- 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
- 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
- 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
- Marcus, Y. (1988) Ionic Radii in Aqueous Solutions. Chemical Reviews, 88, 1475-1498. http://dx.doi.org/10.1021/cr00090a003
- 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
- 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
- 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