| Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy) phenyl) imino) methyl)-4-nitrophenol: A combined experimental and computational study Ö Tamer, N Dege, G Demirtaş, D Avcı, Y Atalay, M Macit, S Şahin Journal of Molecular Structure 1063, 295-306, 2014 | 67 | 2014 |
| Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D … S Şahin, N Dege Polyhedron 205, 115320, 2021 | 34 | 2021 |
| A newly synthesized small molecule: the evaluation against Alzheimer's Disease by in silico drug design and computational structure analysis methods S Şahin, N Dege Journal of Molecular Structure 1236, 130337, 2021 | 16 | 2021 |
| Synthesis, spectroscopic properties, thermal properties and aggregation behaviors of macrogol-substituted phthalocyanines S Şahin, E Ağar Journal of Molecular Structure 1187, 121-131, 2019 | 14 | 2019 |
| (E)-N-(3-Chlorophenyl)-1-(5-nitro-2-(piperidin-1-yl) phenyl) methanimine: X-Ray, DFT, ADMET, boiled-egg model, druggability, bioavailabilty, and human cyclophilin D (CypD … S Şahin, N Dege Journal of Molecular Structure 1250, 131744, 2022 | 11 | 2022 |
| A single-molecule with multiple investigations: Synthesis, characterization, computational methods, inhibitory activity against Alzheimer's disease, toxicity, and ADME studies S Şahin Computers in Biology and Medicine 146, 105514, 2022 | 10 | 2022 |
| 2-[((4-fluorophenyl) imino) methyl]-4-nitrophenol and (E)-2-[((3-fluorophenyl) imino) methyl]-4-nitrophenol Compounds G Demirtaş, N Dege, E Ağar, S Şahin Iranian Journal of Chemistry and Chemical Engineering (IJCCE) 37 (5), 55-65, 2018 | 10 | 2018 |
| A3B type unsymmetrical and amphiphilic phthalocyanines: Synthesis, characterization, thermal stability and aggregation studies S Şahin, E Ağar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 227, 117694, 2020 | 8 | 2020 |
| The Crystallographic, Spectroscopic and Theoretical Studies on (E)-2-[((4-fluorophenyl) imino) methyl]-4-nitrophenol and (E)-2-[((3-fluorophenyl) imino) methyl]-4-nitrophenol … G Demirtaş, N Dege, E Ağar, S Şahin Iranian Journal of Chemistry and Chemical Engineering 37 (5), 55-65, 2018 | 4 | 2018 |
| Molecular and Crystal Structure of 2-{(E)-[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol NK Kaynar, E Ağar, H Tanak, S Sahin, O Büyükgüngör, M Yavuz Crystallography Reports 63, 372-374, 2018 | 4 | 2018 |
| Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl) phenyl] iminomethyl}-4-nitrophenol N Karadayı, S Şahin, Y Köysal, E Coşkun, O Büyükgüngör Acta Crystallographica Section E: Crystallographic Communications 71 (7 …, 2015 | 4 | 2015 |
| Crystal Structure of 2-((E)-(5-Bromo-2- hydroxybenzylidene)hydrazono)-1,2-diphenylethanone NK Kaynar, M Yavuz, H Tanak, S Şahin, O Büyükgüngör, E Ağar Crystallography Reports 63, 375-378, 2018 | 3 | 2018 |
| Molecular and crystal structure of 2-{(E)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol: A redetermination NK Kaynar, H Tanak, S Şahin, N Dege, E Ağar, M Yavuz Crystallography Reports 61, 239-242, 2016 | 3 | 2016 |
| A Schiff Base with Polymorphic Structure (Z′ = 2): Investigations with Computational Techniques and in Silico Predictions S Şahin, NN Can Polycyclic Aromatic Compounds 43 (10), 9269-9294, 2023 | 2 | 2023 |
| A New Molecular Structure and Computational Analyses: DFT Studies, NLO Properties, ADMET Predictions, Biological Targets, and Docking Experiments S Şahin Polycyclic Aromatic Compounds, 1-15, 2023 | 2 | 2023 |
| Synthesis, characterization, computational analyses, in silico ADMET studies, and inhibitory action against SARS-CoV-2 main protease (Mpro) of a Schiff base S Şahin, N Dege Turkish Journal of Chemistry 46 (5), 1548-1564, 2022 | 2 | 2022 |
| 2-{[3-Chloro-4-(4-chlorophenoxy) phenyl] iminomethyl}-4-nitrophenol N Karadayı, Y Köysal, S Şahin, E Coşkun, O Büyükgüngör Acta Crystallographica Section E: Structure Reports Online 69 (6), o889-o889, 2013 | 2 | 2013 |
| Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4 Y Köysal, H Bülbül, EN Kantar, E Coşkun, S Şahin, N Dege Zeitschrift für Kristallographie-New Crystal Structures 232 (1), 9-10, 2017 | 1 | 2017 |
| 4, 5-Difluoro-2-((m-tolylimino) methyl) phenol: Investigations on a synthesized Schiff base with in silico medicinal approaches and DFT studies S Şahin Journal of Molecular Structure, 137882, 2024 | | 2024 |
| 2-(((2, 4-Dichlorophenyl) imino) methyl)-3, 4-difluorophenol: X-ray, DFT, MEP, HOMO-LUMO, NLO, Hirshfeld Surfaces, ADMET Profiling, Target Identification, Antipsychotic … S ŞAHİN Gazi University Journal of Science, 1-1, 2024 | | 2024 |
