Hristina R. Zhekova

发表

Selective ion binding and transport by membrane proteins – A computational perspective

D. Salahub, S. Noskov, Van A. Ngo, 2017 .

Magnetic circular dichroism of phthalocyanine (m=mg, zn) and tetraazaporphyrin (m=mg, zn, ni) metal complexes. A computational study based on time-dependent density functional theory.

M. Seth, T. Ziegler, Hristina R. Zhekova, 2008, Inorganic chemistry.

A perspective on the relative merits of time-dependent and time-independent density functional theory in studies of the electron spectra due to transition metal complexes. An illustration through applications to copper tetrachloride and plastocyanin

M. Seth, T. Ziegler, Hristina R. Zhekova, 2014 .

First principle simulation of the temperature dependent magnetic circular dichroism of a trinuclear copper complex in the presence of zero field splitting.

M. Seth, T. Ziegler, Hristina R. Zhekova, 2011, The journal of physical chemistry. A.

Two-Dimensional Potentials of Mean Force of Nile Red in Intact and Damaged Model Bilayers. Application to Calculations of Fluorescence Spectra.

D. Tieleman, Gurpreet Singh, S. Noskov, 2016, Journal of chemical theory and computation.

Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.

M. Seth, T. Ziegler, Hristina R. Zhekova, 2012, The journal of physical chemistry. A.

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

M. Seth, T. Ziegler, Hristina R. Zhekova, 2011, The Journal of chemical physics.

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.

T. Ziegler, Hristina R. Zhekova, M. Seth, 2011, Journal of chemical theory and computation.

SLC4A11 Function: Evidence for H+(OH-) and NH3-H+ Transport.

S. Noskov, X. Shao, D. Newman, 2019, American journal of physiology. Cell physiology.

Evidence for Generation of Delocalized Polarons in Conducting Polyaniline: A Raman Scattering Spectroscopy Approach

A. Tadjer, N. Gospodinova, S. Dorey, 2007 .

CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations

D. Tieleman, S. Noskov, Jiansen Jiang, 2022, Communications biology.

Inter-species variation in monovalent anion substrate selectivity and inhibitor sensitivity in the sodium iodide symporter (NIS)

S. Noskov, S. Russell, Hristina R. Zhekova, 2020, PloS one.

Characterization of the Cation Binding Sites in the NCKX2 Na+/Ca2+-K+ Exchanger.

S. Noskov, P. Schnetkamp, Chunfeng Zhao, 2016, Biochemistry.

Identification of multiple substrate binding sites in SLC4 transporters in the outward-facing conformation: Insights into the transport mechanism

S. Noskov, I. Kurtz, L. Kao, 2021, The Journal of biological chemistry.

Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE

Z. Zhou, S. Noskov, I. Kurtz, 2021, Nature Communications.

Theoretical Study of the Structure and Electronic Spectra of Fully Protonated Emeraldine Oligomers

J. Petrova, A. Ivanova, A. Tadjer, 2007 .

Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes.

J. Autschbach, M. Krykunov, T. Ziegler, 2014, Journal of chemical theory and computation.

Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS)

Ryan Johnson, Stephen Russell, Hristina Rumenova Zhekova, 2020, J. Chem. Inf. Model..

Coarse-grained molecular dynamics simulations of lipid-protein interactions in SLC4 proteins

D. Tieleman, B. I. Sejdiu, I. Kurtz, 2023, bioRxiv.