| 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 | 83 | 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 | 53 | 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 Novotná, L Vaneková, M Zavrel, M Budesinsky, M Dejmek, M Smola, ... Journal of medicinal chemistry 62 (23), 10676-10690, 2019 | 51 | 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 | 42 | 2013 |
| 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 | 38 | 2016 |
| 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 | 37 | 2015 |
| 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 | 27 | 2013 |
| 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 | 25* | 2021 |
| 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 | 25 | 2009 |
| 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 | 25 | 2009 |
| 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 | 24 | 2014 |
| 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 | 21 | 2010 |
| 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 | 17 | 2021 |
| 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 | 12 | 2012 |
| 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 | 12 | 2012 |
| Halides with Fifteen Aliphatic C-H···Anion Interaction Sites G Shi, ZA Tehrani, D Kim, WJ Cho, IS Youn, HM Lee, M Yousuf, N Ahmed, ... Scientific reports 6 (1), 1-10, 2016 | 8 | 2016 |
| Do coinage metal anions interact with substituted benzene derivatives? Z Aliakbar Tehrani, Z Jamshidi, H Farhangian Journal of molecular modeling 19, 4763-4772, 2013 | 8 | 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 | 8 | 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 | 7 | 2011 |
| Molecular dynamics simulations provide structural insight into binding of cyclic dinucleotides to human STING protein Z Aliakbar Tehrani, L Rulíšek, J Černý Journal of Biomolecular Structure and Dynamics, 2021 | 6 | 2021 |
Zahra JamshidiAssociate Professor of Computational Chemistry, Sharif University of Technology, Chemistry andVerified email at sharif.edu
