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The Journal of Physical Chemistry. A|August 11, 2011
First principle simulation of the temperature dependent magnetic circular dichroism of a trinuclear copper complex in the presence of zero field splittingHristina R Zhekova, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A|May 11, 2010
A magnetic and electronic circular dichroism study of azurin, plastocyanin, cucumber basic protein, and nitrite reductase based on time-dependent density functional theory calculationsHristina R Zhekova, Michael Seth, Tom Ziegler
The Journal of Chemical Physics|November 18, 2011
Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theoryHristina R Zhekova, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A|February 11, 2012
Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theoryIssaka Seidu, Hristina R Zhekova, Michael Seth, et al.
Plos One|February 22, 2020
Inter-species variation in monovalent anion substrate selectivity and inhibitor sensitivity in the sodium iodide symporter (NIS)Susanna C Concilio, Hristina R Zhekova, Sergei Y Noskov, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Two-Dimensional Potentials of Mean Force of Nile Red in Intact and Damaged Model Bilayers. Application to Calculations of Fluorescence SpectraGurpreet Singh, Adam C Chamberlin, Hristina R Zhekova, et al.
Biorxiv : the Preprint Server for Biology|July 10, 2023
Coarse-grained molecular dynamics simulations of lipid-protein interactions in SLC4 proteinsHristina R Zhekova, Daniel P Ramirez-Echemendía, Besian I Sejdiu, et al.
Biophysical Journal|May 18, 2024
Molecular dynamics simulations of lipid-protein interactions in SLC4 proteinsHristina R Zhekova, Daniel P Ramirez Echemendía, Besian I Sejdiu, et al.
Channels (Austin, Tex.)|June 9, 2025
Structural and functional mapping of ion access pathways in the human K+-dependent Na+/Ca2+ exchanger NCKX2 using cysteine scanning mutagenesis, thiol-modifying reagents, and homology modellingRobert T Szerencsei, Shitian Cai, Hristina R Zhekova, et al.
Frontiers in Physiology|January 28, 2025
On the substrate turnover rate of NBCe1 and AE1 SLC4 transporters: structure-function considerationsAlexander Pushkin, Liyo Kao, Hristina R Zhekova, et al.
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