François Ogliaro

The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations.

Sason Shaik, Walter Thiel, Hai Lin, 2002, Journal of the American Chemical Society.

The Experimentally Elusive Oxidant of Cytochrome P450: A Theoretical “Trapping” Defining More Closely the “Real” Species

Sason Shaik, Shimrit Cohen, S. Shaik, 2001, Chembiochem : a European journal of chemical biology.

The "Rebound Controversy": An Overview and Theoretical Modeling of the Rebound Step in C-H Hydroxylation by Cytochrome P450

Sason Shaik, Sebastian Kozuch, David Danovich, 2004 .

Medium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?

Sason Shaik, Shimrit Cohen, S. Shaik, 2000 .

What factors affect the regioselectivity of oxidation by cytochrome p450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reaction.

Sason Shaik, S. Shaik, P. K. Sharma, 2002, Journal of the American Chemical Society.

The 'push' effect of the thiolate ligand in cytochrome P450: a theoretical gauging.

Sason Shaik, S. Shaik, S. D. de Visser, 2002, Journal of inorganic biochemistry.

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.

Sason Shaik, Michael Filatov, Shimrit Cohen, 2001, Angewandte Chemie.

BENT-BOND VERSUS SEPARATED-BOND MODELS : A SPIN-COUPLED SURVEY FOR A FEW ORGANIC AND INORGANIC SYSTEMS

David L. Cooper, D. L. Cooper, Peter B. Karadakov, 1999 .