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- 2005
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Mark
Theoretical study of structure of catalytic copper site in nitrite reductase
(
- Contribution to journal › Article
- 2004
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Mark
Protonation status of metal-bound ligands can be determined by quantum refinement
(
- Contribution to journal › Article
-
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
- 2003
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Mark
An automatic method to generate force-field parameters for hetero-compounds.
(
- Contribution to journal › Article
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Mark
Quantum refinement - a combination of quantum chemistry and protein crystallography.
(
- Contribution to journal › Scientific review
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Mark
Quantum Chemistry Can Locally Improve Protein Crystal Structures
(
- Contribution to journal › Article
- 2002
-
Mark
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
(
- Contribution to journal › Article