Mehdi Irani

11PUBLICATIONS
9CO-AUTHORS
Computational chemistryChemical engineering designMolecular targetsMain group metal chemistryTheoretical quantum chemistry
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Publications (11)

|Jul 06, 2026
Benchmark Study for Calculations of pKa Values of Metal Ligands in Proteins.

|Jun 30, 2026
Rational Design of Linalool Dehydratase-Isomerase Enables Efficient Conversion of Phytol to Neophytadiene.

|Sep 08, 2025
Triazole-Pyrimidine Hybrids as EGFR Inhibitors via Synthesis, In Silico, In Vitro, and In Vivo Evaluation as Anticancer Agents.

Rahul Dubey, Shankar Gupta, Rajveer Singh

|Mar 11, 2025
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study.

Javad Shirazi, Sonia Jafari, Ulf Ryde

|Feb 20, 2025
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations.

Maryam Haji Dehabadi, Mehdi Irani, Ulf Ryde

|May 16, 2023
Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study.

Javad Shirazi, Sonia Jafari, Ulf Ryde

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Frequent Collaborators

9 joint publications

Ulf Ryde

7 joint publications

Sonia Jafari

2 joint publications

Javad Shirazi

1 joint publications

Maryam Haji Dehabadi