Ulf Ryde
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- 2005
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Mark
Quantum mechanical free energy barrier for an enzymatic reaction
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- Contribution to journal › Article
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Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
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- Contribution to journal › Article
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Mark
NMR structure determination of proteins supplemented by quantum chemical calculations: Detailed structure of the Ca2+ sites in the EGF34 fragment of protein S
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- Contribution to journal › Article
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Mark
Theoretical study of structure of catalytic copper site in nitrite reductase
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- Contribution to journal › Article
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Mark
A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
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- Contribution to journal › Article
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Mark
How the Co-C bond is cleaved in coenzyme B-12 enzymes: A theoretical study
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- Contribution to journal › Article
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Mark
Comparison of chemical properties of iron, cobalt, and nickel porphyrins, corrins, and hydrocorphins
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- Contribution to journal › Article
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O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods
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- Contribution to journal › Article
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Reaction mechanism of porphyrin metallation studied by theoretical methods
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- Contribution to journal › Article
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A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
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- Contribution to journal › Article