1 – 6 of 6
- show: 10
- |
- sort: year (new to old)
- |
- Export
- 2011
-
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
- 2009
-
Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
(2009)
In Angewandte Chemie (International edition)
48(19).
p.3503-3506
- Contribution to journal › Article
- 2008
-
QM/MM-PBSA method to estimate free energies for reactions in proteins
(2008)
In The Journal of Physical Chemistry Part B
112(39).
p.12537-12548
- Contribution to journal › Article
-
Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
(2008)
In Journal of Chemical Theory and Computation
4(6).
p.985-1001
- Contribution to journal › Article
- 2007
-
Calculated reaction cycle of cytochrome c oxidase
(2007)
In The Journal of Physical Chemistry Part B
111(43).
p.12543-12550
- Contribution to journal › Article
- 2006
-
Nitrogen-doped carbon nanotubes under electron irradiation simulated with a tight-binding model
(2006)
In Physical Review B (Condensed Matter and Materials Physics)
74(7).
- Contribution to journal › Article