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Multiscale modeling of the active site of [Fe] hydrogenase: the H₂ binding site in open and closed protein

Erik Donovan Hedegård1, Jacob Kongsted2, Ulf Ryde3

  • 1University of Southern Denmark, Department of Physics, Chemistry and Pharmacy, Campusvej 55, 5230 Odense M (Denmark). edh@sdu.dk.

Angewandte Chemie (International Ed. in English)
|April 14, 2015
PubMed

Keywords:
[Fe] hydrogenasehydrogen activationmolecular mechanicsmultiscale modelingquantum mechanics

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