@article{MAKHILLIJSC201510321279, title = {Supercomputer Modeling of Active Centers Redox System of Plastocyanin}, journal = {International Journal of Soft Computing}, volume = {10}, number = {3}, pages = {231-233}, year = {2015}, issn = {1816-9503}, doi = {ijscomp.2015.231.233}, url = {https://makhillpublications.co/view-article.php?issn=1816-9503&doi=ijscomp.2015.231.233}, author = {Natalia V.,Ilya B. and}, keywords = {Plastocyanin,thylakoids of chloroplasts,fractional charges,copper ion,cytochrome}, 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.} }