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The Journal of Physical Chemistry. A|August 14, 2014
Modeling Zn²⁺ release from metallothioneinC Satheesan Babu, Yu-Ming Lee, Todor Dudev, et al.Journal of the American Chemical Society|April 13, 2013
Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs Ca2+: application to ribonuclease HC Satheesan Babu, Todor Dudev, Carmay LimJournal of the American Chemical Society|August 2, 2003
A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: application to E. coli ribonuclease H1C Satheesan Babu, Todor Dudev, R Casareno, et al.Journal of the American Chemical Society|August 19, 2004
Oxyanion selectivity in sulfate and molybdate transport proteins: an ab initio/CDM studyTodor Dudev, Carmay LimJournal of the American Chemical Society|February 2, 2006
A DFT/CDM Study of metal-carboxylate interactions in metalloproteins: factors governing the maximum number of metal-bound carboxylatesTodor Dudev, Carmay LimJournal of the American Chemical Society|February 13, 2014
Evolution of eukaryotic ion channels: principles underlying the conversion of Ca²⁺-selective to Na⁺-selective channelsTodor Dudev, Carmay LimJournal of the American Chemical Society|September 22, 2007
All-electron calculations of the nucleation structures in metal-induced zinc-finger folding: role of the Peptide backboneTodor Dudev, Carmay LimJournal of the American Chemical Society|May 22, 2009
Determinants of K+ vs Na+ selectivity in potassium channelsTodor Dudev, Carmay LimJournal of the American Chemical Society|November 5, 2010
Factors controlling the mechanism of NAD(+) non-redox reactionsTodor Dudev, Carmay LimThe Journal of Physical Chemistry. B|August 1, 2009
Metal-binding affinity and selectivity of nonstandard natural amino acid residues from DFT/CDM calculationsTodor Dudev, Carmay LimPageof 19