Berna Dogan
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Synthesis, biological activity and multiscale molecular modeling studies of bis-coumarins as selective carbonic anhydrase IX and XII inhibitors with effective cytotoxicity …
BZ Kurt, A Dag, B Doğan, S Durdagi, A Angeli, A Nocentini, CT Supuran, ...
Bioorganic Chemistry 87, 838-850, 2019
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
Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance …
G Tutumlu, B Dogan, T Avsar, MD Orhan, S Calis, S Durdagi
Frontiers in Chemistry 8, 167, 2020
Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors
O Ozten, BZ Kurt, F Sonmez, B Dogan, S Durdagi
Bioorganic Chemistry 115, 105225, 2021
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
Free radical polymerization of ethyl methacrylate and ethyl α-hydroxy methacrylate: A computational approach to the propagation kinetics
B Dogan, S Catak, V Van Speybroeck, M Waroquier, V Aviyente
Polymer 53 (15), 3211-3219, 2012
Formation of the inclusion complex of water soluble fluorescent calix [4] arene and naringenin: solubility, cytotoxic effect and molecular modeling studies
M Oguz, AA Bhatti, B Dogan, S Karakurt, S Durdagi, M Yilmaz
Journal of Biomolecular Structure and Dynamics 38 (13), 3801-3813, 2020
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
Current status of multiscale simulations on GPCRs
S Durdagi, B Dogan, İ Erol, G Kayık, B Aksoydan
Current Opinion in Structural Biology 55, 93-103, 2019
A novel BH3 mimetic Bcl-2 inhibitor promotes autophagic cell death and reduces in vivo Glioblastoma tumor growth
S Calis, B Dogan, S Durdagi, A Celebi, O Yapicier, T Kilic, ET Turanli, ...
Cell Death Discovery 8 (1), 433, 2022
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
An integrated in silico approach and in vitro study for the discovery of small‐molecule USP7 inhibitors as potential cancer therapies
D Kanan, T Kanan, B Dogan, MD Orhan, T Avsar, S Durdagi
ChemMedChem 16 (3), 555-567, 2021
Design and synthesis of novel caffeic acid phenethyl ester (CAPE) derivatives and their biological activity studies in glioblastoma multiforme (GBM) cancer cell lines
BO Sucu, EB Koc, OS Ipek, A Mirat, F Almas, MA Guzel, B Dogan, ...
Journal of Molecular Graphics and Modelling 113, 108160, 2022
In silico dissolution rates of pharmaceutical ingredients
B Dogan, J Schneider, K Reuter
Chemical Physics Letters 662, 52-55, 2016
Drug Re‐positioning Studies for Novel HIV‐1 Inhibitors Using Binary QSAR Models and Multi‐target‐driven In Silico Studies
B Dogan, S Durdagi
Molecular Informatics 40 (2), 2000012, 2021
Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents
A Shahraki, A Isbilir, B Dogan, MJ Lohse, S Durdagi, N Birgul-Iyison
Journal of Chemical Information and Modeling 61 (2), 715-728, 2021
Prediction of HIV-1 protease resistance using genotypic, phenotypic, and molecular information with artificial neural networks
H Tunc, B Dogan, BND Kiraz, M Sari, S Durdagi, S Kotil
PeerJ 11, e14987, 2023
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
Investigation of supramolecular interaction of quercetin with N, N-dimethylamine-functionalized p-sulfonated calix [4, 8] arenes using molecular modeling and their in vitro …
M Oguz, B Dogan, S Durdagi, AA Bhatti, S Karakurt, M Yilmaz
New Journal of Chemistry 45 (39), 18443-18452, 2021
Integration of text mining and binary QSAR models for novel anti-hypertensive antagonist scaffolds
S Durdagi, I Erol, B Dogan, TB Sen
Biophysical Journal 116 (3), 478a, 2019
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Articles 1–20