Zahra Aliakbar Tehrani
Zahra Aliakbar Tehrani
Ph.D. in Compuational Chemistry, Institute of Biotechnology AS CR, v. v. i.
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Structure-mechanism-based engineering of chemical regulators targeting distinct pathological factors in Alzheimer’s disease
MW Beck, JS Derrick, RA Kerr, SB Oh, WJ Cho, SJC Lee, Y Ji, J Han, ...
Nature Communications 7 (1), 13115, 2016
Interactions of glutathione tripeptide with gold cluster: influence of intramolecular hydrogen bond on complexation behavior
Z Aliakbar Tehrani, Z Jamshidi, M Jebeli Javan, A Fattahi
The Journal of Physical Chemistry A 116 (17), 4338-4347, 2012
Enzymatic preparation of 2′–5′, 3′–5′-cyclic dinucleotides, their binding properties to stimulator of interferon genes adaptor protein, and structure/activity correlations
B Novotna, L Vanekova, M Zavrel, M Budesinsky, M Dejmek, M Smola, ...
Journal of medicinal chemistry 62 (23), 10676-10690, 2019
Theoretical Investigation on Antioxidant Activity of Bromophenols from the Marine Red Alga Rhodomela confervoides: H-Atom vs Electron Transfer Mechanism
AJ Javan, MJ Javan, ZA Tehrani
Journal of agricultural and food chemistry 61 (7), 1534-1541, 2013
Intriguing electrostatic potential of CO: Negative bond-ends and positive bond-cylindrical-surface
H Kim, VD Doan, WJ Cho, R Valero, Z Aliakbar Tehrani, JML Madridejos, ...
Scientific Reports 5 (1), 16307, 2015
Functional molecules and materials by π‐interaction based quantum theoretical design
Z Aliakbar Tehrani, KS Kim
International Journal of Quantum Chemistry 116 (8), 622-633, 2016
Interactions of small gold clusters, Aun (n= 1–3), with graphyne: theoretical investigation
E Azizi, ZA Tehrani, Z Jamshidi
Journal of Molecular Graphics and Modelling 54, 80-89, 2014
Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study
ZA Tehrani, A Fattahi, A Pourjavadi
Journal of Molecular Structure: THEOCHEM 913 (1-3), 117-125, 2009
Glucose interaction with Au, Ag, and Cu clusters: Theoretical investigation
Z Jamshidi, H Farhangian, ZA Tehrani
International Journal of Quantum Chemistry 113 (8), 1062-1070, 2013
DFT study of the interaction of cytidine and 2′-deoxycytidine with Li+, Na+, and K+: effects of metal cationization on sugar puckering and stability of the N-glycosidic bond
ZA Tehrani, A Fattahi, A Pourjavadi
Carbohydrate research 344 (6), 771-778, 2009
Conformational behavior and potential energy profile of gaseous histidine
ZA Tehrani, E Tavasoli, A Fattahi
Journal of Molecular Structure: THEOCHEM 960 (1-3), 73-85, 2010
Ligand Strain and Its Conformational Complexity Is a Major Factor Determining Binding of Cyclic Dinucleotides to STING Protein
M Smola, ...
Angewandte Chemie 133 (18), 10260-10266, 2021
Protein–Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory
LR Zdeněk Vavřina, Ondrej Gutten, Miroslav Smola, Martin Zavřel, Zahra ...
Biochemistry, 2021
Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation
MJ Javan, Z Jamshidi, ZA Tehrani, A Fattahi
Organic & Biomolecular Chemistry 10 (47), 9373-9382, 2012
Experimental and computational bridgehead C–H bond dissociation enthalpies
A Fattahi, L Lis, ZA Tehrani, SS Marimanikkuppam, SR Kass
The Journal of Organic Chemistry 77 (4), 1909-1914, 2012
Do coinage metal anions interact with substituted benzene derivatives?
Z Aliakbar Tehrani, Z Jamshidi, H Farhangian
Journal of molecular modeling 19, 4763-4772, 2013
Effect of Cation Radical Formation on Reactivity and Acidity Enhancement of Cytosine Nucleobase: Natural Bond Orbital and Atom in Molecule Analysis
ZA Tehrani, MJ Javan, A Fattahi, MM Hashemi
Journal of Theoretical and Computational Chemistry 11 (02), 313-327, 2012
Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis
ZA Tehrani, MJ Javan, A Fattahi, MM Hashemi
Computational and Theoretical Chemistry 971 (1-3), 19-29, 2011
Anion interactions of cytosine nucleobase and its nucleosides: Detailed view from DFT study
ZA Tehrani, A Fattahi
Journal of Molecular Structure: THEOCHEM 913 (1-3), 277-283, 2009
Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson–Crick base pairs
Z Aliakbar Tehrani, M Shakourian-Fard, A Fattahi
Structural Chemistry 24 (4), 1015-1025, 2013
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