| The irony of chirality–unveiling the distinct mechanistic binding and activities of 1-(3-(4-amino-5-(7-methoxy-5-methylbenzo [b] thiophen-2-yl)-7 H-pyrrolo [2, 3-d] pyrimidin-7 … FB Akher, A Farrokhzadeh, FA Olotu, C Agoni, MES Soliman Organic & Biomolecular Chemistry 17 (5), 1176-1190, 2019 | 24 | 2019 |
| Discovery of novel natural flavonoids as potent antiviral candidates against hepatitis C virus NS5B polymerase FB Akher, A Farrokhzadeh, P Ramharack, L Shunmugam, ... Medical hypotheses 132, 109359, 2019 | 14 | 2019 |
| Probing the dynamic mechanism of uncommon allosteric inhibitors optimized to enhance drug selectivity of SHP2 with therapeutic potential for cancer treatment A Farrokhzadeh, FB Akher, MES Soliman Applied biochemistry and biotechnology 188, 260-281, 2019 | 13 | 2019 |
| π-stacking effects on the hydrogen bonding capacity of methyl 2-naphthoate FB Akher, A Ebrahimi Journal of Molecular Graphics and Modelling 61, 115-122, 2015 | 13 | 2015 |
| Investigation of the π–π stacking interactions without direct electrostatic effects of substituents: the aromatic∥ aromatic and aromatic∥ anti-aromatic complexes A Ebrahimi, P Karimi, FB Akher, R Behazin, N Mostafavi Molecular Physics 112 (7), 1047-1056, 2014 | 13 | 2014 |
| Covalent vs. Non‐Covalent Inhibition: Tackling Drug Resistance in EGFR–A Thorough Dynamic Perspective FB Akher, A Farrokhzadeh, MES Soliman Chemistry & Biodiversity 16 (3), e1800518, 2019 | 9 | 2019 |
| Characterization of π-stacking interactions between aromatic amino acids and quercetagetin FB Akher, A Ebrahimi, N Mostafavi Journal of Molecular Structure 1128, 13-20, 2017 | 9 | 2017 |
| Caffeine as base analogue of adenine or guanine: a theoretical study A Ebrahimi, M Habibi-Khorassani, FB Akher, A Farrokhzadeh, P Karimi Journal of Molecular Graphics and Modelling 42, 81-91, 2013 | 9 | 2013 |
| Carbohydrate Force Fields: The Role of Small Partial Atomic Charges in Preventing Conformational Collapse MMK Ryan D. Lazar, Farideh B. Akher, Neil Ravenscroft Journal of Chemical Theory and Computation, 2022 | 7 | 2022 |
| Mechanistic study of potent fluorinated EGFR kinase inhibitors with a quinazoline scaffold against L858R/T790M/C797S resistance mutation: unveiling the fluorine substituent … FB Akher, A Farrokhzadeh, N Ravenscroft, MM Kuttel The Journal of Physical Chemistry B 124 (28), 5813-5824, 2020 | 6 | 2020 |
| Noteworthy effect of slight variation in aliphatic chain length of trisubstituted imidazole inhibitors against epidermal growth factor receptor L858R/T790M/C797S mutant in … FB Akher, A Farrokhzadeh, MES Soliman Chemical Biology & Drug Design 93 (5), 798-810, 2019 | 6 | 2019 |
| A theoretical study of π-stacking interactions in C-substituted tetrazoles A Farrokhzadeh, AR Modarresi-Alam, FB Akher, A Ebrahimi Journal of Molecular Graphics and Modelling 67, 85-93, 2016 | 6 | 2016 |
| A mechanistic study of a potent and selective epidermal growth factor receptor inhibitor against the L858R/T790M resistance mutation FB Akher, A Farrokhzadeh, N Ravenscroft, MM Kuttel Biochemistry 58 (41), 4246-4259, 2019 | 5 | 2019 |
| Revealing the distinct mechanistic binding and activity of 5-(1-(3, 5-dichloropyridin-4-yl) ethoxy)-3-(5-(4-methylpiperazin-1-yl)-1 H-benzo [d] imidazol-2-yl)-1 H-indazole … A Farrokhzadeh, FB Akher, FA Olotu, MES Soliman, FR Van Heerden Physical Chemistry Chemical Physics 21 (27), 15120-15132, 2019 | 5 | 2019 |
| Semiclassical Multistate Dynamics for Six Coupled 5A′ States of O + O2 FB Akher, Y Shu, Z Varga, DG Truhlar Journal of Chemical Theory and Computation 19 (14), 4389-4401, 2023 | 4 | 2023 |
| Nerve Growth Factor‐Binding Engineered Silk Films Promote Neuronal Attachment and Neurite Outgrowth LA Baker, L Xu, F Badichi Akher, MK Robertson, L Pugsley‐DeBruyn, ... Advanced Functional Materials 32 (45), 2205178, 2022 | 4 | 2022 |
| Investigation of the unusually high rotational energy barrier about the CN bond in 5-(2-x-phenyl)-N, N-dimethyl-2H-tetrazole-2-carboxamides: Insights from dynamic 1H-NMR and … A Farrokhzadeh, AR Modarresi-Alam, FB Akher, E Kleinpeter, A Kelling, ... Journal of Molecular Structure 1226, 129363, 2021 | 4 | 2021 |
| Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by a low-dimensional potential FB Akher, Y Shu, Z Varga, S Bhaumik, DG Truhlar The Journal of Physical Chemistry A 127 (24), 5287-5297, 2023 | 3 | 2023 |
| Deciphering the Mechanism of Binding Selectivity of Chlorofluoroacetamide-Based Covalent Inhibitors toward L858R/ T790M Resistance Mutation MMK Farideh Badichi Akher, Abdolkarim Farrokhzadeh, Neil Ravenscroft Journal of Chemical Information and Modeling, 2022 | 3 | 2022 |
| Molecular mechanism exploration of potent fluorinated PI3K inhibitors with a triazine scaffold: unveiling the unusual synergistic effect of pyridine-to-pyrimidine ring … A Farrokhzadeh, FB Akher, TJ Egan The Journal of Physical Chemistry B 125 (36), 10072-10084, 2021 | 3 | 2021 |
