| Analysis of the glutamate agonist LY404, 039 binding to nonstatic dopamine receptor D2 dimer structures and consensus docking RE Salmas, P Seeman, B Aksoydan, I Erol, I Kantarcioglu, M Stein, ... ACS Chemical Neuroscience 8 (6), 1404-1415, 2017 | 26 | 2017 |
| Structure-based design of hERG-neutral antihypertensive oxazalone and imidazolone derivatives B Aksoydan, I Kantarcioglu, I Erol, RE Salmas, S Durdagi Journal of Molecular Graphics and Modelling 79, 103-117, 2018 | 25 | 2018 |
| Oligomerization and cooperativity in GPCRs from the perspective of the angiotensin AT1 and dopamine D2 receptors S Durdagi, I Erol, RE Salmas, B Aksoydan, I Kantarcioglu Neuroscience Letters 700, 30-37, 2019 | 19 | 2019 |
| Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and … S Durdagi, B Aksoydan, I Erol, I Kantarcioglu, Y Ergun, G Bulut, M Acar, ... European journal of medicinal chemistry 145, 273-290, 2018 | 19 | 2018 |
| Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study I Erol, B Aksoydan, I Kantarcioglu, RE Salmas, S Durdagi Journal of Molecular Graphics and Modelling 74, 193-202, 2017 | 9 | 2017 |
| Design of novel uracil derivatives as inhibitors of carbonic anhydrases I & II, acetylcholinesterase, butyrylcholinesterase, and glutathione reductase using in silico … S Durdagi, M Senturk, M Guney, D Ekinci, B Aksoydan, I Erol, ... WILEY-BLACKWELL, 2016 | 6 | 2016 |
| One-Pot Regioselective Synthesis of 2, 5, 6, 7-Tetrahydroimidazo [1, 2-a] Imidazol-3-Ones Starting from (Vinylimino) Phosphoranes F Tan, ZZ Meng, XQ Xiong, GP Zeng, MW Ding Synlett 30 (07), 857-859, 2019 | 2 | 2019 |
| Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in E. coli DHFR E Cetin, TF Guclu, I Kantarcioglu, IK Gaszek, E Toprak, AR Atilgan, ... Journal of Chemical Information and Modeling 63 (15), 4839-4849, 2023 | 1 | 2023 |
| Application of Multiscale Simulation Tools on GPCRs. An Example with Angiotensin II Type 1 Receptor I Erol, B Aksoydan, I Kantarcioglu, S Durdagi Rational Drug Design: Methods and Protocols, 431-448, 2018 | 1 | 2018 |
| Elucidating TolC Protein Dynamics: Structural Shifts Facilitate Efflux Mediated β-lactam Resistance I Kantarcioglu, IK Gaszek, TF Guclu, MS Yildiz, AR Atilgan, E Toprak, ... bioRxiv, 2024.02. 22.581573, 2024 | | 2024 |
| Efflux of antibiotics by the homotrimeric TolC transmembrane protein I Kantarcioglu, IK Gaszek, E Toprak, AR Atilgan, C Atilgan Biophysical Journal 122 (3), 59a, 2023 | | 2023 |
| Molecular evolution of extended spectrum beta-lactam resistance IK Gaszek, I Kantarcioglu, MS Yildiz, L Sari, A Ahmed, A Katz, MM Lin, ... Biophysical journal 122 (3), 21a, 2023 | | 2023 |
| Dynamics of the homotrimeric TolC transmembrane protein I Kantarcioglu, AR Atilgan, C Atilgan The 13th International Symposium on Health Informatics and Bioinformatics, 89, 2020 | | 2020 |
| Investigation of chemical interactions of small peptides and vitamin substances at the developed dopamine D2 receptor models R Aslancan, B Aksoydan, I Kantarcioglu, I Erol, RE Salmas, S Durdagi European Psychiatry 41 (S1), S366-S366, 2017 | | 2017 |
