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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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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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, Mart 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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Applications of Molecular Modeling Approaches For The Identification of Novel Sars-Cov-2 Rdrp Inhibitors
2. Computer-Aided Drug Design Symposium and Workshop - Linking Design, Biology, Chemistry and Medicine, İstanbul/TÜRKİYE, 11 Mayıs 2022
DOĞAN BERNA, DURDAĞI SERDAR, MOTAPANYANE, NTSOAKİ BAİTHEDİ
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Mechanical enhancement of hydroxyapatite via carbon and boron nitride nanotubes: a molecular dynamics study
Journal of Molecular Modeling, Vol. 31, Şubat 2025, ISSN: 1610-2940
EYİDOĞAN BUĞRA,KIRCA MESUT
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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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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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Modeling gain-of-function and loss-of-function components of SPAST-based hereditary spastic paraplegia using transgenic mice
Human Molecular Genetics, Aralık 2021, ISSN: 0964-6906
PİERMARİNİ EMANUELA, AKARSU ŞEYMA, CONNORS THERESA, KNEUSSEL MATTHİAS, LANE MİCHAEL A, MORFİNİ GERARDO, KARABAY KORKMAZ ARZU, BAAS PETER W, QİANG LİANG
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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, s. 1-10, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN
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Formation of the inclusion complex of water soluble fluorescent calix[4]arene and naringenin: solubility, cytotoxic effect and molecular modeling studies
Journal of Biomolecular Structure and Dynamics, Ekim 2019, s. 3801-3813, ISSN: 0739-1102
OGUZ MEHMET,BHATTİ ASİF ALİ,DOĞAN BERNA,KARAKURT SERDAR,DURDAGİ SERDAR,YİLMAZ MUSTAFA
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Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity Properties
ACS Chemical Neuroscience, Vol. 9, No. 7, Temmuz 2018, s. 1768-1782, ISSN: 1948-7193
IS YUSUF SERHAT,DURDAĞI SERDAR,AKSOYDAN BUSECAN,YURTSEVER MİNE
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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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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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Coupled molecular continuum mechanical modeling of graphene sheets
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, Vol. 45, Ocak 2012, s. 151-161
C BAYKASOGLU, A MUGAN
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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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Identification of novel MDM2-p53 protein-protein interaction inhibitors with multidimensional molecular modeling approaches and application of binary QSAR models for prediction of therapeutic activity and toxic effects
International Symposium on Chemistry via Computation, İstanbul/TÜRKİYE, 30 Ekim 2017
AYDIN GÜLŞAH,YURTSEVER MİNE,DURDAĞI SERDAR
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