TY  - JOUR
T1  - Supercomputer Modeling of Active Centers Redox System of Plastocyanin
AU - Zolotareva, Natalia V. AU - Kovalenko, Ilya B. AU - Alykov, Nariman M. 
JO  - International Journal of Soft Computing
VL  - 10
IS  - 3
SP  - 231
EP  - 233
PY  - 2015
DA  - 2001/08/19
SN  - 1816-9503
DO  - ijscomp.2015.231.233
UR  - https://makhillpublications.co/view-article.php?doi=ijscomp.2015.231.233
KW  - Plastocyanin
KW  -thylakoids of chloroplasts
KW  -fractional charges
KW  -copper ion
KW  -cytochrome
AB  - 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.
ER  -