QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site
Author:
Affiliation:
1. Science Institute, University of Iceland, Dunhagi 3, 107 Reykjavik, Iceland
Funder
Icelandic Centre for Research
Haskoli Islands
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.7b02158
Reference92 articles.
1. The iron-molybdenum cofactor of nitrogenase
2. Mechanism of Molybdenum Nitrogenase
3. Structural Basis of Biological Nitrogen Fixation
4. Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage
5. Biosynthesis of Nitrogenase Metalloclusters
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