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Angewandte Chemie (International Ed. in English)|May 2, 2018
How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional StudySam P de Visser, François Ogliaro, Sason Shaik
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 24, 2004
Active anionic zero-valent palladium catalysts: characterization by density functional calculationsSebastian Kozuch, Sason Shaik, Anny Jutand, et al.
Journal of Inorganic Biochemistry|September 19, 2002
The 'push' effect of the thiolate ligand in cytochrome P450: a theoretical gaugingFrançois Ogliaro, Samuël P de Visser, Sason Shaik
Journal of the American Chemical Society|January 19, 2008
Quantum mechanical/molecular mechanical study of mechanisms of heme degradation by the enzyme heme oxygenase: the strategic function of the water clusterHui Chen, Yohann Moreau, Etienne Derat, et al.
Journal of the American Chemical Society|September 16, 2004
External electric field will control the selectivity of enzymatic-like bond activationsSason Shaik, Sam P de Visser, Devesh Kumar
Journal of the American Chemical Society|September 15, 2005
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450Hajime Hirao, Devesh Kumar, Walter Thiel, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 11, 2008
A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidantsHajime Hirao, Lawrence Que, Wonwoo Nam, et al.
Journal of the American Chemical Society|September 10, 2014
Theory uncovers an unusual mechanism of DNA repair of a lesioned adenine by AlkB enzymesBinju Wang, Dandamudi Usharani, Chunsen Li, et al.
The Journal of Physical Chemistry Letters|August 25, 2023
The Reactivity-Enhancing Role of Water Clusters in Ammonia Aqueous SolutionsGiuseppe Cassone, Franz Saija, Jiri Sponer, et al.
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