Mehdi Irani (Former)

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2025
Mark Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2025) In Inorganic Chemistry
- Contribution to journal › Article
2024
Mark QM/MM study of the catalytic reaction of aphid myrosinase
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2024) In International Journal of Biological Macromolecules 262.
- Contribution to journal › Article
2023
Mark Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2023) In Scientific Reports 13(1).
- Contribution to journal › Article
Mark Catalytic Reaction Mechanism of Glyoxalase II : A Quantum Mechanics/Molecular Mechanics Study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2023) In Journal of Physical Chemistry B 127(20). p.4480-4495
- Contribution to journal › Article
2022
Mark Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
Jafari, Sonia ; Tavares Santos, Yakini A. ; Bergmann, Justin ^LU ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2022) In Inorganic Chemistry 61(16). p.5991-6007
- Contribution to journal › Article
2021
Mark QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2021) In Journal of Chemical Theory and Computation 17(3). p.1822-1841
- Contribution to journal › Article
Mark Two-Substrate Glyoxalase i Mechanism : A Quantum Mechanics/Molecular Mechanics Study
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2021) In Inorganic Chemistry p.303-314
- Contribution to journal › Article
2020
Mark Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
Jafari, Sonia ; Ryde, Ulf ^LU ; Fouda, Adam Emad Ahmed ; Alavi, Fatemeh Sadat ; Dong, Geng ^LU and Irani, Mehdi ^LU (2020) In Inorganic Chemistry 59. p.2594-2603
- Contribution to journal › Article
2018
Mark Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase i
Jafari, Sonia ; Kazemi, Nadia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2018) In Inorganic Chemistry 57(9). p.4944-4958
- Contribution to journal › Article
2016
Mark Catalytic mechanism of human glyoxalase i studied by quantum-mechanical cluster calculations
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2016) In Journal of Molecular Catalysis B: Enzymatic 131. p.18-30
- Contribution to journal › Article

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