Cargando…
Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin
Electronic structure calculations using the density-functional theory (DFT) have been performed to analyse the effect of water molecules and protonation on the heme group of peroxidases in different redox (ferric, ferrous, compounds I and II) and spin states. Shared geometries, spectroscopic propert...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9952403/ https://www.ncbi.nlm.nih.gov/pubmed/36829861 http://dx.doi.org/10.3390/antiox12020303 |