Natalia V.  Zolotareva, Ilya B.  Kovalenko, Nariman M.  Alykov, 
    Supercomputer Modeling of Active Centers Redox System of Plastocyanin,
    International Journal of Soft Computing,
    Volume 10,Issue 3,
    2015,
    Pages 231-233,
    ISSN 1816-9503,
    ijscomp.2015.231.233,
    (https://makhillpublications.co/view-article.php?doi=ijscomp.2015.231.233)
    Abstract: The calculations of the partial charges of the active center of plastocyanin and determination of its structural features in oxidized and reduced states were made by quantum-chemical methods. The calculations were made by DFT Method using B3LYP and the basis sets 6-31G* and cc-pvdz in the firefly program on the supercomputer complex “Lomonosov” of Moscow State University.
    Keywords: Plastocyanin;thylakoids of chloroplasts;fractional charges;copper ion;cytochrome