15th European Symposium on QSAR Molecular Modeling, En iyi poster ödülü
CADDD Society, 2004
|
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
|
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
|
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
|
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
|
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
|
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
|
Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
Journal of Molecular Modeling, Vol. 23, No. 5, Mayıs 2017, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE
|
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
|
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
|
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
|
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
|
An In Silico Study On The Interactions Of PDE5 Inhibitors With Herg1 K Ion Channel Rehabilitating Sildenafil With Multi Scale Molecular Modeling Methods
BAU Drgug Design Congress, 1 Ekim 2015
GÜLRU KAYIK,TÜZÜN NURCAN,DURDAĞI SERDAR
|
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
|
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
|
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
|
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
|
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
|
Modeling gain-of-function and loss-of-function components of SPAST-based hereditary spastic paraplegia using transgenic mice
Human Molecular Genetics, Ocak 2022, ISSN: 0964-6906
PİERMARİNİ EMANUELA, AKARSU ŞEYMA, CONNORS THERESA, KNEUSSEL MATTHİAS, LANE MİCHAEL A., MORFİNİ GERARDO, KARABAY KORKMAZ ARZU, BAAS PETER W., QİANG LİANG
|
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
|