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Effect of antimalarial drug primaquine and its derivatives on the ionization potential of hemoglobin: a QM/MM study

✍ Scribed by Liu, Haining; Ding, Yuanqing; Walker, Larry A.; Doerksen, Robert J.


Book ID
120320494
Publisher
The Royal Society of Chemistry
Year
2013
Tongue
English
Weight
164 KB
Volume
4
Category
Article
ISSN
2040-2503

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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