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- 2007
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Mark
Dynamics of water molecules in the active-site cavity of human cytochromes P450
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- Contribution to journal › Article
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Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
(
- Contribution to journal › Article
- 2006
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Mark
Ligand affinities predicted with the MM/PBSA method: Dependence on the simulation method and the force field
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- Contribution to journal › Article
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Mark
The structures of frataxin oligomers reveal the mechanism for the delivery and detoxification of iron
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- Contribution to journal › Article
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Mark
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
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- Contribution to journal › Article
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Mark
Prediction of activation energies for hydrogen abstraction by cytochrome P450
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- Contribution to journal › Article
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Mark
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
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- Contribution to journal › Article
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Mark
Comparison of overlap-based models for approximating the exchange-repulsion energy
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- Contribution to journal › Article
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Mark
EXAFS structure refinement supplemented by computational chemistry
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- Contribution to journal › Article
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Mark
Structure of reduced and oxidized manganese superoxide dismutase: A combined computational and experimental approach
(
- Contribution to journal › Article