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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 LimAnnual Review of Biophysics|June 25, 2008
Metal binding affinity and selectivity in metalloproteins: insights from computational studiesTodor Dudev, Carmay LimPhysical Chemistry Chemical Physics : PCCP|March 15, 2012
Why voltage-gated Ca2+ and bacterial Na+ channels with the same EEEE motif in their selectivity filters confer opposite metal selectivityTodor Dudev, Carmay LimScientific Reports|January 20, 2015
Ion selectivity in the selectivity filters of acid-sensing ion channelsTodor Dudev, Carmay LimPageof 18