Thomas Rod (Former)
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- 2023
-
Mark
LEAPS data strategy
(
- Contribution to journal › Article
- 2007
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Mark
Dynamics of water molecules in the active-site cavity of human cytochromes P450
(
- Contribution to journal › Article
- 2006
-
Mark
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
(
- Contribution to journal › Article
- 2005
-
Mark
Quantum mechanical free energy barrier for an enzymatic reaction
(
- Contribution to journal › Article
-
Mark
Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
(
- Contribution to journal › Article
- 2004
-
Mark
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement
(
- Contribution to journal › Article