Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer Assay to Identify Novel Hit Compounds Against BCL-2
FRONTIERS IN CHEMISTRY, Vol. 8, Nisan 2020, ISSN: 2296-2646
TUTUMLU GURBET,DOĞAN BERNA,AVSAR TİMUCİN,ORHAN MUGE DİDEM,CALİS SEYMA,DURDAGİ SERDAR
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Swift-Docking: Neural Network-Based Method to Speed Up Molecular Docking
5TH INTERNATIONAL SYMPOSIUM ON BIOINFORMATICS, istanbul/TÜRKİYE, 15 Aralık 2021
BANDE ABDULSALAM YAZİD,BADAY SEFER
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Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors
BIOORGANIC CHEMISTRY, Vol. 115, Ekim 2021, ISSN: 0045-2068
ÖZTEN ÖZGE, ZENGİN KURT BELMA, SÖNMEZ FATİH, DOĞAN BERNA, DURDAĞI SERDAR
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The affinity of histamine to serum albumin: Capillary electrophoresis‐frontal analysis and in‐silico molecular docking approaches
JOURNAL OF SEPARATION SCIENCE, Vol. 46, Eylül 2023, ISSN: 1615-9306
KALAYCIOĞLU ZEYNEP
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A Molecular Docking Study on O-Acetylpeptidoglucan Esterase
5th International Bau Drug Design Congress, 19 Ekim 2017
TATAROĞLU MUAMMER MELİN,AKSAKAL ZEYNEP,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN
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A Molecular Docking Study on O-Acetylpeptidoglucan Esterase
5th International Bau Drug Design Congress, 19 Ekim 2017
TATAROĞLU MUAMMER MELİN,AKSAKAL ZEYNEP,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN
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Molecular docking study on the DNA binding domain of master regulator of the mammalian HSR protein
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2020
GÜLBAHAR BOZAN
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Structural dependence of protein binding and vibrational spectra of some odor molecules: Molecular docking and TD-DFT study
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2023
AYSUN SIRMA
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Accelerating molecular docking using machine learning methods
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2022
ABDULSALAM YAZID BANDE
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Molecular docking study on the DNA binding domain of master regulator of the mammalian HSR protein
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2020
GÜLBAHAR BOZAN
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Elucidation of binding interactions and mechanism of rivastigmine tartrate with dsDNA via multi-spectroscopic, electrochemical, and molecular docking studies
Journal of Molecular Structure, Vol. 1268, Ocak 2022, ISSN: 0022-2860
ALİZADEH NEDA, ŞENEL PELİN, ERDOĞAN TANER, GÖLCÜ AYŞEGÜL
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Cytotoxic effects, carbonic anhydrase isoenzymes, α-glycosidase and acetylcholinesterase inhibitory properties, and molecular docking studies of heteroatom-containing sulfonyl hydrazone derivatives
Journal of Biomolecular Structure and Dynamics, Vol. 39, Ocak 2021, ISSN: 0739-1102
ÇELEBİOĞLU HASAN UFUK, ERDEN YAVUZ, HAMURCU FATMA, TASLIMI PARHAM, ŞENTÜRK OZAN SANLI, ÖZDEMİR ÖZMEN ÜMMÜHAN, TÜZÜN BURAK, GÜLÇİN İLHAMİ
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Synthesis, characterization, anti-inflammatory evaluation, molecular docking and density functional theory studies of metal based drug candidate molecules of tenoxicam
Results in Chemistry, Vol. 3, Ocak 2021, ISSN: 2211-7156
MUSLU HARUN, KALAYCIOĞLU ZEYNEP, ERDOĞAN TANER, GÖLCÜ AYŞEGÜL, ERİM FATMA BEDİA
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Mechanism of Interactions of dsDNA Binding with Apigenin and Its Sulfamate Derivatives Using Multispectroscopic, Voltammetric, and Molecular Docking Studies
ACS Omega, Vol. 6, Ocak 2021, ISSN: 2470-1343
WAİHENYA SİMON, ŞENEL PELİN, J. OSONGA FRANCİS, ERDOĞAN TANER, ALTAY FİLİZ, GÖLCÜ AYŞEGÜL, A. SADİK OMOWUNMİ
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Comparative study of cytotoxic activities, DNA binding and molecular docking interactions of anticancer agent epirubicin and its novel copper complex
Journal of Molecular Structure, Vol. 1232, Ocak 2021, ISSN: 0022-2860
ADIMCILAR VESELİNA, ÇEŞME MUSTAFA, ŞENEL PELİN, DANIŞ İBRAHİM, ÜNAL DURİŞEHVAR, GÖLCÜ AYŞEGÜL
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Dithiocarbamates and dithiocarbonates containing 6-nitrosaccharin scaffold: Synthesis, antimycobacterial activity and in silico target prediction using ensemble docking-based reverse virtual screening
Elsevier BV, Vol. 1277, Nisan 2023, ISSN: 0022-2860
TRAWALLY MUHAMMED, DEMİR YAZICI KÜBRA, DİNGİŞ BİRGÜL SERAP İPEK, KAYA KEREM, AKDEMİR ATİLLA, GÜZEL AKDEMİR ÖZLEN
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The Affinity of Dopamine and Serotonin to Serum Albumin: Capillary Electrophoresis-Frontal Analysis and In-Silico Molecular Docking Approaches
33rd International Symposium on Pharmaceutical and Biomedical Analysis, Ankara/TÜRKİYE, 2 Temmuz 2023
KALAYCIOĞLU ZEYNEP, BİLEN DEFNE
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Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and in vitro Study
MOLECULAR INFORMATICS, Vol. 41, No. 2, Şubat 2022, ISSN: 1868-1743
DURDAĞI SERDAR, ORHAN MÜGE DİDEM, AKSOYDAN BUSECAN, CALİS SEYMA, DOĞAN BERNA, ŞAHİN KADER, SHAHRAKİ AİDA, IYİSON NECLA BİRGÜL, AVŞAR TİMUÇİN
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Design and synthesis of novel caffeic acid phenethyl ester (CAPE) derivatives and their biological activity studies in glioblastoma multiforme (GBM) cancer cell lines
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Vol. 113, Haziran 2022, ISSN: 1093-3263
SUCU BİLGESU ONUR, KOÇ ELİF BEYZA, SAVLUĞ İPEK ÖZGECAN, MİRAT AFRANUR, ALMAS FURKAN, GÜZEL MELİKE AYBALA, DOĞAN BERNA, ULUDAĞ DAMLA, KARAKAŞ NİHAL, DURDAĞI SERDAR, GÜZEL MUSTAFA
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Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing
STRUCTURE, Vol. 29, No. 12, Aralık 2021, s. 1382, ISSN: 0969-2126
DURDAĞI SERDAR, DOĞAN BERNA, DEMİRCİ HASAN
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