Abstract
Molecular orbital populations of an ab initio wave function of the tetra-heme cytochrome с 1M1P are analyzed to show mutual polarization of amino acids, as predicted by the effect of the mutual polarization of amino acids in biomolecules, which has previously been described by the author.
This is a preview of subscription content, log in via an institution to check access.
References
J. W. Ponder and D. A. Case, Adv. Protein Chem., 66, 27 (2003).
J. Wang, P. Cieplak, and P. A. Kollman, J. Comput. Chem., 21, No. 12, 1049 (2000).
C. K. Mathews and K. E. van Holde, Biochemistry, 2-nd ed., The Benjamin / Cummings Publishing Company, Menlo Park, California (1996).
A. V. Mitin, Pis’ma Zh. Eksp. Teor. Fiz., 92, No. 5, 398 (2010).
A. V. Mitin, J. Comput. Chem., 111, No. 11, 2555 (2011).
A. V. Mitin, J. Struct. Chem., 57, No. 4, 637 (2016).
R. S. Mulliken, J. Chem. Phys., 23, No. 10, 1833 (1955).
R. S. Mulliken, J. Chem. Phys., 23, No. 10, 1841 (1955).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © 2017 A. V. Mitin.
Translated from Zhurnal Strukturnoi Khimii, Vol. 58, No. 2, pp. 357–360, February–March, 2017.
Rights and permissions
About this article
Cite this article
Mitin, A.V. Mutual polarization of amino acids in small tetra-heme cytochrome с 1M1P. J Struct Chem 58, 340–343 (2017). https://doi.org/10.1134/S0022476617020147
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0022476617020147