Thomas Rod
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- 2007
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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
- 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
- 2005
- Quantum mechanical free energy barrier for an enzymatic reaction
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Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
Rod, Thomas LU and Ryde, Ulf LU
(2005)
In Journal of Chemical Theory and Computation
1(6).
p.1240-1251
Mark
- 2004
-
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement
Nilsson, Kristina LU ; Hersleth, H P ; Rod, Thomas LU ; Andersson, K K and Ryde, Ulf LU
(2004)
In Biophysical Journal
87(5).
p.3437-3447
Mark