Publications by H. R. Zhekova

H. R. Zhekova, T. Sakuma, R. Johnson, S. C. Concilio, P. J. Lech, I. Zdravkovic, M. Damergi, L. Suksanpaisan, K.-W. Peng, S. J. Russell and S. Y. Noskov, Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS), Journal of Chemical Information and Modeling 60(3): 1652 - 1665, 5 March 2020.

S. C. Concilio, H. R. Zhekova, S. Y. Noskov and S. J. Russell, Inter-species variation in monovalent anion substrate selectivity and inhibitor sensitivity in the sodium iodide symporter (NIS), PLOS ONE 15(2): e0229085 (25 pp.), 21 February 2020.

L. Kao, R. Azimov, X. M. Shao, N. Abuladze, D. Newman, H. R. Zhekova, S. Y. Noskov, A. Pushkin and I. Kurtz, SLC4A11 function: evidence for H⁺(OH⁻) and NH₃-H⁺ transport, American Journal of Cell Physiology 318: C392 - C405, 6 February 2020.

H. R. Zhekova, V. A. Ngo, M. C. da Silva, D. R. Salahub and S. Y. Noskov, Selective ion binding and transport by membrane proteins � A computational perspective, Coordination Chemistry Reviews 345: 108 - 136, 15 August 2017. (Special issue on Chemical Bonding in Inorganic Specials "State of Art" Coordination Chemistry Review, 50 Years of Progress).

H. R. Zhekova, C.-F Zhao, P. P. M. Schnetkamp and S. Y. Noskov, Characterization of the cation binding sites in the NCKX2 Na⁺/Ca²⁺-K⁺ exchanger, Biochemistry 55(46): 6445 - 6455, 2 November 2016.

H. R. Zhekova, M. Krykunov, J. Autschbach and T. Ziegler, Applications of time dependent and time independent density functional theory to the first π to π* transition in cyanine dyes, Journal of Chemical Theory and Computation 10(8): 3299 - 3307, 9 June 2014.

H. R. Zhekova, M. Seth and T. Ziegler, Density functional theory studies on the structure and electron distribution in the peroxide intermediate of the catalytic cycle of the multicopper oxidases, Canadian Journal of Chemistry 91(9): 847 - 858, 11 April 2013.

I. Seidu, H. R. Zhekova, M. Seth and T. Ziegler, Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory, Journal of Physical Chemistry A 116(9): 2268 - 2277, 8 March 2012.

H. R. Zhekova, M. Seth and T. Ziegler, Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory, Journal of Chemical Physics 135(18): 184105, 14 November 2011.

H. R. Zhekova, M. Seth and T. Ziegler, First principle simulation of the temperature dependent magnetic circular dichroism of a trinuclear copper complex in the presence of zero field splitting, Journal of Physical Chemistry A 115(37): 10323 - 10334, 22 September 2011.

H. R. Zhekova, M. Seth and T. Ziegler, Introduction of a new theory for the calculation of magnetic coupling based on spin-flip constricted variational density functional theory. Application to trinuclear copper complexes which model the native intermediate in multicopper oxidases, Journal of Chemical Theory and Computation 7(6): 1858 - 1866, 14 June 2011.

H. R. Zhekova, M. Seth and T. Ziegler, A magnetic and electronic circular dichroism study of azurin, plastocyanin, cucumber basic protein, and nitrite reductase based on time-dependent density functional theory calculations, Journal of Physical Chemistry A 114(21): 6308 - 6321, 3 June 2010.

H. R. Zhekova, Density functional theory studies on the active site of the multicopper oxidases (PhD Thesis), 1 December 2013.