International Journal of Soft Computing
ISSN: OnlineISSN: Print 1816-9503
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.
How to cite this article:
Ilya B. Kovalenko, Nariman M. Alykov and Natalia V. Zolotareva. Supercomputer Modeling of Active Centers Redox System of Plastocyanin.
DOI: https://doi.org/10.36478/ijscomp.2015.231.233
URL: https://www.makhillpublications.co/view-article/1816-9503/ijscomp.2015.231.233