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- 2012
-
Quantum-mechanical studies of reactions performed by cytochrome P450 enzymes
Rydberg, Patrik LU ; Olsen, Lars and Ryde, Ulf LU
(2012)
In Current Inorganic Chemistry
2.
p.292-315
Mark
-
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
Mikulskis, Paulius LU ; Genheden, Samuel LU ; Rydberg, Patrik LU ; Sandberg, Lars ; Olsen, Lars and Ryde, Ulf LU
(2012)
In Journal of Computer-Aided Molecular Design
26(5).
p.527-541
Mark
- 2010
- Branched nanotrees with immobilized acetylcholine esterase for nanobiosensor applications.
- 2008
-
Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
Rydberg, Patrik ; Ryde, Ulf LU
and Olsen, Lars
(2008)
In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
112(50).
p.13058-13065
Mark
-
Protonation of the proximal histidine ligand in heme peroxidases.
Heimdal, Jimmy LU ; Rydberg, Patrik LU and Ryde, Ulf LU
(2008)
In The Journal of Physical Chemistry Part B
112(8).
p.2501-2510
Mark
-
Sulfoxide, sulfur, and nitrogen oxidation and dealkylation by cytochrome P450
Rydberg, Patrik ; Ryde, Ulf LU
and Olsen, Lars
(2008)
In Journal of Chemical Theory and Computation
4(8).
p.1369-1377
Mark
- A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands
-
Transition-state docking of flunitrazepam and progesterone in cytochrome P450
Rydberg, Patrik LU ; Hansen, Sine Myrup ; Kongsted, Jacob LU ; Norrby, Per-Ola ; Olsen, Lars and Ryde, Ulf LU
(2008)
In Journal of Chemical Theory and Computation
4(4).
p.673-681
Mark
- 2007
- Theoretical Studies of Cytochrome P450
-
Dynamics of water molecules in the active-site cavity of human cytochromes P450
Rydberg, Patrik LU ; Rod, Thomas LU ; Olsen, Lars and Ryde, Ulf LU
(2007)
In The Journal of Physical Chemistry Part B
111(19).
p.5445-5457
Mark
-
General transition-state force field for cytochrome p450 Hydroxylation
Rydberg, Patrik LU ; Olsen, Lars ; Norrby, Per-Ola and Ryde, Ulf LU
(2007)
In Journal of Chemical Theory and Computation
3(5).
p.1765-1773
Mark
- 2006
-
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
Rod, Thomas LU ; Rydberg, Patrik LU and Ryde, Ulf LU
(2006)
In Journal of Chemical Physics
124(17).
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
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
Mark
- 2005
-
A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
Ryabova, Ekaterina LU ; Rydberg, Patrik LU ; Kolberg, M ; Harbitz, E ; Barra, A L ; Ryde, Ulf LU
; Andersson, K K
and Nordlander, Ebbe
LU
(2005)
In Journal of Inorganic Biochemistry
99(3).
p.852-863
Mark
- 2004
-
On the role of the axial ligand in heme proteins: a theoretical study
Rydberg, Patrik LU ; Sigfridsson, Emma and Ryde, Ulf LU
(2004)
In Journal of Biological Inorganic Chemistry
9(2).
p.203-223
Mark