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Mehdi Irani
Mehdi Irani
Department of Chemistry, Faculty of Science, University of Kurdistan
Verified email at uok.ac.ir - Homepage
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Cited by
Cited by
Year
Photocatalytic degradation of methylene blue with ZnO nanoparticles; a joint experimental and theoretical study
M Irani, T Mohammadi, S Mohebbi
Journal of the Mexican Chemical Society 60 (4), 218-225, 2016
762016
Amino Acid Oxidation of Candida antarctica Lipase B Studied by Molecular Dynamics Simulations and Site-Directed Mutagenesis
M Irani, U Tornvall, S Genheden, MW Larsen, R Hatti-Kaul, U Ryde
Biochemistry 52 (7), 1280-1289, 2013
222013
Catalytic mechanism of human glyoxalase I studied by quantum-mechanical cluster calculations
S Jafari, U Ryde, M Irani
Journal of Molecular Catalysis B: Enzymatic 131, 18-30, 2016
162016
Higher flexibility of Glu-172 explains the unusual stereospecificity of glyoxalase I
S Jafari, N Kazemi, U Ryde, M Irani
Inorganic Chemistry 57 (9), 4944-4958, 2018
152018
A joint experimental and theoretical study of kinetic and mechanism of rearrangement of allyl p-tolyl ether
M Irani, M Haqgu, A Talebi, MR Gholami
Journal of Molecular Structure: THEOCHEM 893 (1-3), 73-76, 2009
142009
QM/MM study of the catalytic reaction of myrosinase; importance of assigning proper protonation states of active-site residues
S Jafari, U Ryde, M Irani
Journal of Chemical Theory and Computation 17 (3), 1822-1841, 2021
122021
Selective aerobic photocatalytic oxidation of benzyl alcohol over spherical structured WO3/TiO2 nanocomposite under visible light irradiation
E Safaei, S Mohebbi, M Irani
Journal of Sol-Gel Science and Technology 87, 170-182, 2018
102018
Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins
S Jafari, YA Tavares Santos, J Bergmann, M Irani, U Ryde
Inorganic Chemistry 61 (16), 5991-6007, 2022
92022
Quantum mechanics/molecular mechanics study of the reaction mechanism of glyoxalase I
S Jafari, U Ryde, AEA Fouda, FS Alavi, G Dong, M Irani
Inorganic Chemistry 59 (4), 2594-2603, 2020
92020
Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties
M Irani, M Haqgu, MR Gholami
Journal of Molecular Structure: THEOCHEM 909 (1-3), 86-90, 2009
72009
Ethanol adsorption in cation-exchanged linde type L zeolite, studied by molecular simulations
KR Shabolaghi, M Irani
Computational and Theoretical Chemistry 1207, 113498, 2022
62022
QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I
S Jafari, U Ryde, M Irani
Results in Chemistry 1, 100011, 2019
62019
A density functional theory study of cyclization of citronellal
MR Zardoost, MR Gholami, M Irani, SA Siadati
Progress in Reaction Kinetics and Mechanism 37 (2), 173-182, 2012
52012
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study
S Jafari, U Ryde, M Irani
Inorganic Chemistry, 2020
42020
Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study
J Shirazi, S Jafari, U Ryde, M Irani
The Journal of Physical Chemistry B 127 (20), 4480-4495, 2023
32023
Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculations
Z Rasouli, M Irani, S Jafari, R Ghavami
Scientific Reports 11 (1), 6465, 2021
32021
Can a Quantum Mechanical Cluster Model Explain the Special Stereospecificity of Glyoxalase I?
S Parvaneh, H Parsa, M Irani
Computational and Theoretical Chemistry 1188, 112944, 2020
32020
Integrated fragment-based drug design and virtual screening techniques for exploring the antidiabetic potential of thiazolidine-2, 4-diones: Design, synthesis and in vivo studies
S Gupta, GS Baweja, S Singh, M Irani, R Singh, V Asati
European Journal of Medicinal Chemistry 261, 115826, 2023
22023
Computational design of fusion proteins against ErbB2-amplified tumors inspired by ricin toxin
Y Ahmadi Moghaddam, A Maroufi, S Zareei, M Irani
Frontiers in Molecular Biosciences 10, 1098365, 2023
22023
Robust and predictive QSAR models for predicting the D2, 5-HT1A, and 5-HT2A inhibition activities of fused tricyclic heterocycle piperazine (piperidine) derivatives as atypical …
R Ahmadi, B Sepehri, R Ghavami, M Irani
Journal of Molecular Structure 1259, 132753, 2022
22022
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