DFT calculations of complexation energies of selected transition metal ions (Co (super)2+, Ni (super)2+, Zn (super)2+, Cd (super)2+, and Hg (super)2+) in metal-binding sites of metalloproteins

Authors :: Rulisek, Lubomir
Halvas, Zdenek
Source :: Journal of Physical Chemistry A. April 18, 2002, Vol. 106 Issue 15, p3855, 12 p.
Publication Year :: 2002

Subjects :: Chemistry, Physical and theoretical -- Research
Density functionals -- Usage
Cobalt -- Physiological aspects
Metalloproteins -- Physiological aspects
Zinc -- Physiological aspects
Cadmium -- Physiological aspects
Nickel -- Physiological aspects
Mercury -- Physiological aspects
Metal ions -- Physiological aspects
Transition metals -- Physiological aspects
Chemicals, plastics and rubber industries

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