Ulf Ryde
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- 2006
-
Mark
Prediction of activation energies for hydrogen abstraction by cytochrome P450
Olsen, Lars ; Rydberg, Patrik LU ; Rod, Thomas H. and Ryde, Ulf LU
(2006)
In Journal of Medicinal Chemistry
49(22).
p.6489-6499
- Contribution to journal › Article
-
Mark
Comparison of overlap-based models for approximating the exchange-repulsion energy
Söderhjelm, Pär LU ; Karlström, Gunnar LU and Ryde, Ulf LU
(2006)
In Journal of Chemical Physics
124(24).
- Contribution to journal › Article
-
Mark
Interpretation of EXAFS spectra for sitting-atop complexes with the help of computational methods
- Contribution to journal › Article
-
Mark
EXAFS structure refinement supplemented by computational chemistry
Hsiao, Ya-Wen LU ; Tao, Ye ; Shokes, Jacob E. ; Scott, Robert A. and Ryde, Ulf LU
(2006)
In Physical Review B (Condensed Matter and Materials Physics)
74(21).
- Contribution to journal › Article
-
Mark
Structure of reduced and oxidized manganese superoxide dismutase: A combined computational and experimental approach
Rulisek, Lubomir LU and Ryde, Ulf LU
(2006)
In The Journal of Physical Chemistry Part B
110(23).
p.11511-11518
- Contribution to journal › Article
-
Mark
Structures of the high-valent metal-ion haem-oxygen intermediates in peroxidases, oxygenases and catalases
Hersleth, HP ; Ryde, Ulf LU
; Rydberg, Patrik
LU
; Gorbitz, CH
and Andersson, KK
(2006)
In Journal of Inorganic Biochemistry
100(4).
p.460-476
- Contribution to journal › Scientific review
-
Mark
The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations
Rulisek, Lubomir LU ; Jensen, Kasper LU ; Lundgren, Kristoffer and Ryde, Ulf LU
(2006)
In Journal of Computational Chemistry
27(12).
p.1398-1414
- Contribution to journal › Article
-
Mark
Combined computational and crystallographic study of the oxidised states of [NiFe] hydrogenase
Söderhjelm, Pär LU and Ryde, Ulf LU
(2006)
In Journal of molecular structure. Theochem
770(1-3).
p.199-219
- Contribution to journal › Article
-
Mark
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds - Potential emissive and electron transport materials
Gaenko, Alexander LU ; Devarajan, Ajitha LU ; Tselinskii, IV and Ryde, Ulf LU
(2006)
In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
110(25).
p.7935-7942
- Contribution to journal › Article
- 2005
-
Mark
Quantum mechanical free energy barrier for an enzymatic reaction
- Contribution to journal › Article