| Reducing Virulence and Biofilm of Pseudomonas aeruginosa by Potential Quorum Sensing Inhibitor Carotenoid: Zeaxanthin B Gökalsın, B Aksoydan, B Erman, NC Sesal Microbial ecology 74, 466-473, 2017 | 77 | 2017 |
| Proposing novel MAO-B hit inhibitors using multidimensional molecular modeling approaches and application of binary QSAR models for prediction of their therapeutic activity … YS Is, S Durdagi, B Aksoydan, M Yurtsever ACS Chemical Neuroscience 9 (7), 1768-1782, 2018 | 32 | 2018 |
| Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors B Zengin Kurt, F Sonmez, S Durdagi, B Aksoydan, R Ekhteiari Salmas, ... Journal of Enzyme Inhibition and Medicinal Chemistry 32 (1), 1042-1052, 2017 | 31 | 2017 |
| Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing S Durdagi, Ç Dağ, B Dogan, M Yigin, T Avsar, C Buyukdag, I Erol, ... Structure 29 (12), 1382-1396. e6, 2021 | 29 | 2021 |
| 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 |
| Screening of clinically approved and investigation drugs as potential inhibitors of COVID-19 main protease: a virtual drug repurposing study S Durdagi, B Aksoydan, B Dogan, K Sahin, A Shahraki | 24 | 2020 |
| Host–Guest Interactions between Candesartan and Its Prodrug Candesartan Cilexetil in Complex with 2-Hydroxypropyl-β-cyclodextrin: On the Biological Potency for Angiotensin II … D Ntountaniotis, I Andreadelis, TF Kellici, V Karageorgos, G Leonis, ... Molecular Pharmaceutics 16 (3), 1255-1271, 2019 | 22 | 2019 |
| 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 |
| Screening of clinically approved and investigation drugs as potential inhibitors of SARS-CoV-2 main protease and spike receptor-binding domain bound with ACE2 COVID19 target … S Durdagi, B Aksoydan, B Dogan, K Sahin, A Shahraki, N Birgül-İyison | 18 | 2020 |
| Current status of multiscale simulations on GPCRs S Durdagi, B Dogan, I Erol, G Kayık, B Aksoydan Current opinion in structural biology 55, 93-103, 2019 | 16 | 2019 |
| Biological insights of the dopaminergic stabilizer ACR16 at the binding pocket of dopamine D2 receptor R Ekhteiari Salmas, P Seeman, B Aksoydan, M Stein, M Yurtsever, ... ACS chemical neuroscience 8 (4), 826-836, 2017 | 15 | 2017 |
| Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS‐CoV‐2: A Combined in silico and in vitro Study S Durdagi, MD Orhan, B Aksoydan, S Calis, B Dogan, K Sahin, ... Molecular Informatics 41 (2), 2100062, 2022 | 9 | 2022 |
| In silico characterization of adipokinetic hormone receptor and screening for pesticide candidates against stick insect, Carausius morosus NB Iyison, MG Sinmaz, BD Sahbaz, A Shahraki, B Aksoydan, S Durdagi Journal of Molecular Graphics and Modelling 101, 107720, 2020 | 9 | 2020 |
| Integrated binary QSAR-driven virtual screening and in vitro studies for finding novel hMAO-B-selective inhibitors YS Is, B Aksoydan, M Senturk, M Yurtsever, S Durdagi Journal of Chemical Information and Modeling 60 (8), 4047-4055, 2020 | 9 | 2020 |
| 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 |
| Near-physiological-temperature serial femtosecond X-ray crystallography reveals novel conformations of SARS-CoV-2 main protease active site for improved drug repurposing S Durdagi, C Dag, B Dogan, M Yigin, T Avsar, C Buyukdag, I Erol, B Ertem, ... bioRxiv, 2020.09. 09.287987, 2020 | 4 | 2020 |
| Virtual drug repurposing study for the CGRPR identifies pentagastrin and leuprorelin as putative candidates B Aksoydan, S Durdagi Journal of Molecular Graphics and Modelling 116, 108254, 2022 | 3 | 2022 |
