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Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|February 22, 2005
The intrinsic axial ligand effect on propene oxidation by horseradish peroxidase versus cytochrome P450 enzymesDevesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.Journal of Chemical Theory and Computation|November 26, 2015
Bonding Conundrums in the C2 Molecule: A Valence Bond StudyPeifeng Su, Jifang Wu, Junjing Gu, et al.The Journal of Physical Chemistry. B|November 21, 2007
QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate bindingDan Fishelovitch, Carina Hazan, Hajime Hirao, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 21, 2012
Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O speciesKyung-Bin Cho, Eun Jeong Kim, Mi Sook Seo, et al.Journal of the American Chemical Society|March 14, 2002
Searching for the second oxidant in the catalytic cycle of cytochrome P450: a theoretical investigation of the iron(III)-hydroperoxo species and its epoxidation pathwaysFrançois Ogliaro, Sam P de Visser, Shimrit Cohen, et al.Journal of the American Chemical Society|June 17, 2016
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton SystemsBinju Wang, Jiarui Lu, Kshatresh Dutta Dubey, et al.Biochemistry|June 1, 2005
Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligandDevesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.Journal of the American Chemical Society|August 13, 2016
Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient ConditionsJilai Li, Shaodong Zhou, Jun Zhang, et al.Journal of the American Chemical Society|October 25, 2022
How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine HydroxylaseWei Peng, Shengheng Yan, Xuan Zhang, et al.Angewandte Chemie (International Ed. in English)|May 26, 2017
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of MethaneLei Yue, Jilai Li, Shaodong Zhou, et al.Pageof 30