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Optical properties of flavin mononucleotide: A QM/MM study of protein environment effects

✍ Scribed by Elena Cannuccia; Olivia Pulci; Rodolfo Del Sole; Michele Cascella

Book ID
113533125
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
625 KB
Volume
389
Category
Article
ISSN
0301-0104

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## Abstract A detailed study of the influence of the surrounding protein on magnetic and optical spectra of metalloproteins is presented using the quantum‐mechanical/molecular mechanical (QM/MM) approach. The well‐studied type I copper site in plastocyanin in the cupric oxidation state is taken as