15th European Symposium on QSAR Molecular Modeling, En iyi poster ödülü
CADDD Society, 2004
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Investigation of the mechanisms of hERG1 blocker toxins as anti-cancer agent with molecular modeling techniques
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2024
BERİL ÇOLAK GÜNAY
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In silico design of hERG non-blocker compounds with retained pharmacological activity using multi-scale molecular modeling applications
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2017
GÜLRU KAYIK
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Modeling the deamidation of asparagine residues via succinimide intermediates
Journal of Molecular Modeling, Vol. 7, Ocak 2002, s. 147-160, ISSN: 0948-5023
SUNGUR FETHİYE AYLİN,AVİYENTE VİKTORYA,ZAFER SEN TANER,BAHAR IVET
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Modeling of deacetylation reaction mechanism of o-acetylpeptidoglycan esterase with quantum cluster approach
INTERNATIONAL SYMPOSIUM ONCHEMISTRY ViA COMPUTATIONAPPLICATIONS ON MOLECULAR NANOSCIENCE, 30 Ekim 2017
AKSAKAL ZEYNEP,TATAROĞLU MUAMMER MELİN,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN
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Molecular modeling of metal organic frameworks for the controlled release of topical steroids
International Symposium on Chemstiry ViA Computation, 30 Ekim 2017
AYVAZ KÖROĞLU MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN
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Modeling of deacetylation reaction mechanism of o-acetylpeptidoglycan esterase with quantum cluster approach
INTERNATIONAL SYMPOSIUM ONCHEMISTRY ViA COMPUTATIONAPPLICATIONS ON MOLECULAR NANOSCIENCE, 30 Ekim 2017
AKSAKAL ZEYNEP,TATAROĞLU MUAMMER MELİN,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN
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Modeling glycosaminoglycans hyaluronan chondroitin chondroitin sulfate A chondroitin sulfate C and keratan sulfate
Journal of Molecular Structure: THEOCHEM, Vol. 683, No. 1-3, Eylül 2004, s. 121-132, ISSN: 01661280
BAYRAKTAR HALİL,AKAL EVREN,SARPER ORKAN,VARNALI TEREZA
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A computational approach to the polymerizabilities of diallylamines
JOURNAL OF MOLECULAR MODELING, No. 7, 2001, s. 257-264, ISSN: 0948-5023
TÜZÜN NURCAN,AVİYENTE VİKTORYA,AVCI SEMİZ DUYGU,İNCE HAVVA NİLSUN
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Investigation of PDE5/PDE6 and PDE5/PDE11 selective potent tadalafil-like PDE5 inhibitors using combination of molecular modeling approaches, molecular fingerprint-based virtual screening protocols and structure-based pharmacophore development
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 32, No. 1, Ocak 2017, s. 311-330, ISSN: 1475-6366
KAYIK GÜLRU,TÜZÜN NURCAN,DURDAĞI SERDAR
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Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
Journal of Molecular Modeling, Vol. 23, Ocak 2017, ISSN: 1610-2940","0948-5023
SÜTAY BERKAY, YURTSEVER MİNE
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A post HF study on the interaction of iodine with small polyaromatic hydrocarbons
Journal of Molecular Modeling, Vol. 20, No. 10, Ekim 2014, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN
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Investigating the Effect of GLU283 Protonation State on the Conformational Heterogeneity of CCR5 by Molecular Dynamics Simulations
Journal of Chemical Information and Modeling, Vol. 64, Ekim 2024, ISSN: 1549-9596
DOĞAN BERNA,DURDAĞI SERDAR
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Genome-Scale Metabolic Modeling for Unraveling Molecular Mechanisms of High Threat Pathogens
Front. Cell Dev. Biol, Kasım 2020, ISSN: 2296-634X
SERTBAŞ MUSTAFA, ÜLGEN ŞEFİKA KUTLU
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Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam
Journal of Molecular Modeling, Vol. 30, Ocak 2024, ISSN: 1610-2940
AKCAY SALİHA NUR,SAYLAN CEMİL CAN,TEKİN ADEM,BADAY SEFER
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Synthesis of a Novel and More Sustainable Cationic Bleach Activator,N-[4-(N,N,N)-Triethylammoniumchloride-butanoyl] Butyrolactam, for Cotton: Optimization and Theoretical Limitations
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, Vol. 10, No. 14, Kasım 2022, ISSN: 2168-0485
YILDIRIM EROL,ALTAY PELİN,GÜRSOY NEVİN ÇİĞDEM,J. HAUSER PETER,EL-SHAFEİ AHMED
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Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam
Journal of Molecular Modeling, Vol. 30, No. 2, Ocak 2024, ISSN: 1610-2940
AKCAY SALİHA NUR,SAYLAN CEMİL CAN,TEKİN ADEM,BADAY SEFER
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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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Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
NEW JOURNAL OF CHEMISTRY, Vol. 45, No. 39, Ekim 2021, s. 18443-18452, ISSN: 1144-0546
MEHMET OĞUZ, DOĞAN BERNA, DURDAĞI SERDAR, KARAKURT SERDAR, YILMAZ MUSTAFA
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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 against hepatocellular carcinoma
BIOORGANIC CHEMISTRY, Vol. 87, Haziran 2019, s. 838-850, ISSN: 0045-2068
ZENGİN KURT BELMA,DAĞ AYDAN,DOĞAN BERNA,DURDAĞI SERDAR,ANGELİ ANDREA,NOCENTİNİ ALESSİO,SUPURAN CLAUDİU T,SÖNMEZ FATİH
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