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- 2013
-
Theoretical Studies of the Active-Site Structure, Spectroscopic and Thermodynamic Properties, and Reaction Mechanism of Multicopper Oxidases
(2013)
In Coordination Chemistry Reviews
257.
p.445-458
- Contribution to journal › Scientific review
- 2011
-
Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases.
(2011)
In The Journal of Physical Chemistry Part B
115(Online September 28, 2011).
p.13111-13126
- Contribution to journal › Article
-
Reduction Potentials and Acidity Constants of Mn Superoxide Dismutase Calculated by QM/MM Free-Energy Methods.
(2011)
In ChemPhysChem
12(Online: 29 SEP 2011).
p.3337-3347
- Contribution to journal › Article
- 2007
-
Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements
(2007)
In Journal of the American Chemical Society
129(4).
p.726-727
- Contribution to journal › Article
- 2006
-
Structure of reduced and oxidized manganese superoxide dismutase: A combined computational and experimental approach
(2006)
In The Journal of Physical Chemistry Part B
110(23).
p.11511-11518
- Contribution to journal › Article
-
The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations
(2006)
In Journal of Computational Chemistry
27(12).
p.1398-1414
- Contribution to journal › Article
- 2005
-
A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
(2005)
In Inorganic Chemistry
44(16).
p.5612-5628
- Contribution to journal › Article