Shimrit Cohen
Hebrew University of Jerusalem(IL)
Publications by Year
Research Areas
Metal-Catalyzed Oxygenation Mechanisms, Metal complexes synthesis and properties, Pharmacogenetics and Drug Metabolism, Porphyrin and Phthalocyanine Chemistry, Metalloenzymes and iron-sulfur proteins
Most-Cited Works
- → P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations(2009)1,062 cited
- → The Elusive Oxidant Species of Cytochrome P450 Enzymes: Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations(2002)313 cited
- → Searching for the Second Oxidant in the Catalytic Cycle of Cytochrome P450: A Theoretical Investigation of the Iron(III)-Hydroperoxo Species and Its Epoxidation Pathways(2002)304 cited
- → Quantum Mechanical/Molecular Mechanical Investigation of the Mechanism of C−H Hydroxylation of Camphor by Cytochrome P450cam: Theory Supports a Two-State Rebound Mechanism(2004)283 cited
- → A Predictive Pattern of Computed Barriers for C−H Hydroxylation by Compound I of Cytochrome P450(2004)232 cited
- → The “Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C−H Hydroxylation by Cytochrome P450(2004)170 cited
- → Medium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?(2000)166 cited
- → Radical Clock Substrates, Their C−H Hydroxylation Mechanism by Cytochrome P450, and Other Reactivity Patterns: What Does Theory Reveal about the Clocks' Behavior?(2004)153 cited
- → The High-Valent Compound of Cytochrome P450: The Nature of the Fe−S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor(2000)102 cited
- → Principal Active Species of Horseradish Peroxidase, Compound I: A Hybrid Quantum Mechanical/Molecular Mechanical Study(2005)82 cited