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- 2003
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Mark
Importance of proximal hydrogen bonds in haem proteins.
(
- Contribution to journal › Article
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Mark
The importance of porphyrin distortions for the ferrochelatase reaction.
(
- Contribution to journal › Article
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Mark
Comparison of the chemical properties of iron and cobalt porphyrins and corrins.
(
- Contribution to journal › Article
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Mark
Lactam hydrolysis catalyzed by mononuclear metallo-beta-lactamases: A density functional study
(
- 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
Conversion of homocysteine to methionine by methionine synthase: a density functional study.
(
- Contribution to journal › Article
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Mark
Quantum Chemistry Can Locally Improve Protein Crystal Structures
(
- Contribution to journal › Article
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Mark
Molecular orbital theory.
2003) In Comprehensive Coordination Chemistry 2 (Vol. 1)(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article
-
Mark
An automatic method to generate force-field parameters for hetero-compounds.
(
- Contribution to journal › Article