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Inorganic Chemistry|December 14, 2020
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics StudySonia Jafari, Ulf Ryde, Mehdi IraniScientific Reports|July 4, 2023
Two local minima for structures of [4Fe-4S] clusters obtained with density functional theory methodsSonia Jafari, Ulf Ryde, Mehdi IraniJournal of Chemical Theory and Computation|February 5, 2021
QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site ResiduesSonia Jafari, Ulf Ryde, Mehdi IraniInternational Journal of Biological Macromolecules|February 15, 2024
QM/MM study of the catalytic reaction of aphid myrosinaseSonia Jafari, Ulf Ryde, Mehdi IraniInternational Journal of Biological Macromolecules|March 7, 2026
QM/MM study of the catalytic reaction of potato epoxide hydrolaseMaryam Haji Dehabadi, Ulf Ryde, Mehdi IraniInorganic Chemistry|February 20, 2025
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical CalculationsMaryam Haji Dehabadi, Mehdi Irani, Ulf RydeScientific Reports|March 20, 2021
Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculationsZolaikha Rasouli, Mehdi Irani, Sonia Jafari, et al.Inorganic Chemistry|April 11, 2018
Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase ISonia Jafari, Nadia Kazemi, Ulf Ryde, et al.Combinatorial Chemistry & High Throughput Screening|April 26, 2022
In Silico Optimization of Frizzled-8 Receptor Inhibition Activity of Carbamazepine: Designing New Anti-Cancer AgentRoya Ahmadi, Bakhtyar Sepehri, Mehdi Irani, et al.The Journal of Physical Chemistry. B|May 16, 2023
Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics StudyJavad Shirazi, Sonia Jafari, Ulf Ryde, et al.Pageof 2