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Journal 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 IraniInorganic 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 IraniDalton Transactions (Cambridge, England : 2003)|March 11, 2025
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics studyJavad Shirazi, Sonia Jafari, Ulf Ryde, 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.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.Journal of Chemical Theory and Computation|July 6, 2026
Benchmark Study for Calculations of pKa Values of Metal Ligands in ProteinsMaryam Haji Dehabadi, Mehdi Irani, Sonia Jafari, et al.Inorganic Chemistry|April 11, 2022
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in ProteinsSonia Jafari, Yakini A Tavares Santos, Justin Bergmann, et al.Inorganic Chemistry|February 4, 2020
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase ISonia Jafari, Ulf Ryde, Adam Emad Ahmed Fouda, et al.Pageof 25