| 1 |
QM/MM study of the catalytic reaction of aphid myrosinase
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International Journal of Biological Macromolecules
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| 2 |
Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods
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Scientific Reports
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| 3 |
Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study
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JOURNAL OF PHYSICAL CHEMISTRY B
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| 4 |
Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins
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INORGANIC CHEMISTRY
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| 5 |
Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculations
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Scientific Reports
|
| 6 |
QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
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Journal of Chemical Theory and Computation
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| 7 |
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study
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INORGANIC CHEMISTRY
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| 8 |
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
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INORGANIC CHEMISTRY
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| 9 |
QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I
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Results in Chemistry
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| 10 |
Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase I
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INORGANIC CHEMISTRY
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| 11 |
Catalytic mechanism of human glyoxalase I studied by quantum mechanical cluster calculations
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JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
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