Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy for the Mn-Fe Active Site of Chlamydia trachomatis Ribonucleotide Reductase in Four Oxidation States

Models for the Mn-Fe active site structure of ribonucleotide reductase (RNR) from pathogenic bacteria Chlamydia trachomatis (Ct) in different oxidation states have been studied in this paper, using broken-symmetry density functional theory (DFT) incorporated with the conductor like screening (COSMO)...

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Huvudupphovsmän: Han, Wen-Ge, Giammona, Debra Ann, Bashford, Donald, Noodleman, Louis
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2010
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Article
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC2919573/
https://ncbi.nlm.nih.gov/pubmed/20604534
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic902051t
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