Cargando…
QM/MM Study of Partial Dissociation of S2B for the E(2) Intermediate of Nitrogenase
[Image: see text] Nitrogenase is the only enzyme that can cleave the triple bond in N(2), making nitrogen available for all lifeforms. Previous computational studies have given widely diverging results regarding the reaction mechanism of the enzyme. For example, some recent studies have suggested th...
Autores principales: | Jiang, Hao, Svensson, Oskar K. G., Ryde, Ulf |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9667496/ https://www.ncbi.nlm.nih.gov/pubmed/36306385 http://dx.doi.org/10.1021/acs.inorgchem.2c02488 |
Ejemplares similares
-
Proton Transfer Pathways in Nitrogenase with and without Dissociated S2B
por: Jiang, Hao, et al.
Publicado: (2022) -
N(2)H(2) binding to the nitrogenase FeMo cluster studied by QM/MM methods
por: Cao, Lili, et al.
Publicado: (2020) -
What Is the Structure of the E(4) Intermediate
in Nitrogenase?
por: Cao, Lili, et al.
Publicado: (2020) -
Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
por: Jiang, Hao, et al.
Publicado: (2022) -
On the Difference Between Additive and Subtractive QM/MM Calculations
por: Cao, Lili, et al.
Publicado: (2018)