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