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- 2012
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Mark
Quantum-mechanical studies of reactions performed by cytochrome P450 enzymes
(
- Contribution to journal › Scientific review
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Mark
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
(
- Contribution to journal › Article
- 2010
-
Mark
Branched nanotrees with immobilized acetylcholine esterase for nanobiosensor applications.
(
- Contribution to journal › Article
- 2008
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Mark
Sulfoxide, sulfur, and nitrogen oxidation and dealkylation by cytochrome P450
(
- Contribution to journal › Article
-
Mark
Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(50). p.13058-13065(
- Contribution to journal › Article
-
Mark
Protonation of the proximal histidine ligand in heme peroxidases.
(
- Contribution to journal › Article
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Mark
A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands
2008) p.27-56(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Transition-state docking of flunitrazepam and progesterone in cytochrome P450
(
- Contribution to journal › Article
- 2007
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Mark
Theoretical Studies of Cytochrome P450
2007)(
- Thesis › Doctoral thesis (compilation)
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Mark
Dynamics of water molecules in the active-site cavity of human cytochromes P450
(
- Contribution to journal › Article
-
Mark
General transition-state force field for cytochrome p450 Hydroxylation
(
- 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
-
Mark
Prediction of activation energies for hydrogen abstraction by cytochrome P450
(
- Contribution to journal › Article
-
Mark
Structures of the high-valent metal-ion haem-oxygen intermediates in peroxidases, oxygenases and catalases
(
- Contribution to journal › Scientific review
- 2005
-
Mark
A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
(
- Contribution to journal › Article
- 2004
-
Mark
On the role of the axial ligand in heme proteins: a theoretical study
(
- Contribution to journal › Article