Ab Initio QM/MM Free-Energy Studies of Arginine Deiminase Catalysis: The Protonation State of the Cys Nucleophile

Department of Chemistry and Biochemistry and Centre for Research in Molecular Modeling (CERMM), Concordia University, 7141 Sherbrooke Street West, Montréal, Québec H4B 1R6, Canada

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Yingkai Zhang

Department of Chemistry, New York University, New York, New York 10003

Cite This Article

Zhihong Ke, Hua Guo, Daiqian Xie, et al. (2011). Ab Initio QM/MM Free-Energy Studies of Arginine Deiminase Catalysis: The Protonation State of the Cys Nucleophile. The Journal of Physical Chemistry B, 115(13), 3725-3733. https://doi.org/10.1021/jp200843s

Ab Initio QM/MM Free-Energy Studies of Arginine Deiminase Catalysis: The Protonation State of the Cys Nucleophile

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