Name Sonia Jafari Affiliation دانشجوی دانشگاه کردستان Degree _ Website Email — JournalPaper Presentation Speech WorkShop Book Innovation GrantAttraction Thesis Festival FinishedProject Sales Art StandardCreation TitleJournal 1 Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study Dalton Transactions 2 QM/MM study of the catalytic reaction of aphid myrosinase International Journal of Biological Macromolecules 3 Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods Scientific Reports 4 Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study JOURNAL OF PHYSICAL CHEMISTRY B 5 Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins INORGANIC CHEMISTRY 6 Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculations Scientific Reports 7 QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues Journal of Chemical Theory and Computation 8 Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study INORGANIC CHEMISTRY 9 Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I INORGANIC CHEMISTRY 10 QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I Results in Chemistry 11 Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase I INORGANIC CHEMISTRY 12 Catalytic mechanism of human glyoxalase I studied by quantum mechanical cluster calculations JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC