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Journal of the American Chemical Society|June 28, 2007
What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediatesAhmet Altun, Sason Shaik, Walter ThielJournal of Inorganic Biochemistry|November 7, 2006
On the identity and reactivity patterns of the "second oxidant" of the T252A mutant of cytochrome P450cam in the oxidation of 5-methylenenylcamphorHajime Hirao, Devesh Kumar, Sason ShaikJournal of the American Chemical Society|September 17, 2025
Local Electric Fields Originate Unusual Kinetic Isotope Effects in the Hydrogen Abstraction Reactions of the Functionally Analogous P450 and TauD EnzymesSurajit Kalita, David Danovich, Sason ShaikThe Journal of Physical Chemistry. A|May 22, 2024
Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric FieldsShailja Jain, David Danovich, Sason ShaikNature Chemistry|December 17, 2010
Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagentsSason Shaik, Hui Chen, Deepa JanardananThe Journal of Physical Chemistry. A|July 19, 2019
Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond StudyThijs Stuyver, David Danovich, Sason ShaikJournal of the American Chemical Society|November 20, 2019
Quantum-Mechanical/Molecular-Mechanical Studies of CYP11A1-Catalyzed Biosynthesis of Pregnenolone from Cholesterol Reveal a C-C Bond Cleavage Reaction That Occurs by a Compound I-Mediated Electron TransferHao Su, Binju Wang, Sason ShaikNature Chemistry|November 23, 2016
Oriented electric fields as future smart reagents in chemistrySason Shaik, Debasish Mandal, Rajeev RamananJournal of the American Chemical Society|June 12, 2003
A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymesSam P de Visser, Sason ShaikThe Journal of Physical Chemistry. B|May 5, 2009
What kinds of ferryl species exist for compound II of chloroperoxidase? A dialog of theory with experimentWenzhen Lai, Hui Chen, Sason ShaikPageof 34