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Cytochrome P450 Compound I in the Plane–Wave Pseudopotential Framework: GGA Electronic and Geometric Structure of Thiolate–Ligated Iron(IV)–Oxo Porphyrin
The cytochromes P450 constitute a ubiquitous family of metalloenzymes, catalyzing manifold reactions of biological and synthetic importance via a thiolate–ligated iron–oxo (IV) porphyrin radical species denoted Compound I (Cpd I). Experimental investigations have implicated this intermediate in a br...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3711018/ https://ncbi.nlm.nih.gov/pubmed/23670855 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23311 |
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