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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Reverse non-equilibrium molecular dynamics simulations on the thermal conductivity of three-dimensional graphene nano-ribbon foams
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Vol. 136, No. 109130, Ocak 2020, s. 1-9, ISSN: 0022-3697
DEĞİRMENCİ ÜNAL,KIRCA MESUT
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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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Molecular Dynamics of Vibration Effects for Ar Ni 100 Collision System
International Workshop on New Trends in Science and Technology, 3 Kasım 2008
HUNDUR YAKUP, GÜVENÇ Z B, HİPPLER R
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Molecular dynamics simulation of phase transitions in binary LJ clusters
Turk. J. Chem., Vol. 26, Ocak 2002, s. 627
TEKİN ADEM,YURTSEVER MİNE
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Hierarchical Self-Assembly of Histidine-Functionalized Peptide Amphiphiles into Supramolecular Chiral Nanostructures
LANGMUIR, Vol. 33, No. 32, Ocak 2017, s. 7947-7956, ISSN: 0743-7463
KOC MERYEM HATİP,CİFTCİ GOKSU CİNAR,BADAY SEFER,CASTELLETTO VALERİA,HAMLEY IAN W.,GULER MUSTAFA O.
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Molecular dynamics simulations can predict the optimum drug loading amount in pectin hydrogels for controlled release
MATERIALS TODAY COMMUNICATIONS, Vol. 31, Şubat 2022, s. 1-11, ISSN: 2352-4928
KOCAAĞA AYŞE BANU,GÜNER FATMA SENİHA,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Using Molecular Dynamics Simulations to Predict the Optimum Drug Concentration in Pectin Hydrogels with Controlled Release
2021 Global Nanobiotechnology Consortium (GNC) E-Conference, 13 Mart 2021
KOCAAĞA BANU, GÜNER FATMA SENİHA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Design and mechanical characterization of a novel carbon-based hybrid foam: A molecular dynamics study
Computational Materials Science, Vol. 154, Kasım 2018, s. 122-131, ISSN: 0927-0256
DEĞİRMENCİ ÜNAL,KIRCA MESUT
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Carbon-based nano lattice hybrid structures: Mechanical and thermal properties
Physica E: Low-dimensional Systems and Nanostructures, Vol. 144, No. 115392, Ekim 2022, s. 1-12, ISSN: 1386-9477
DEĞİRMENCİ ÜNAL,KIRCA MESUT
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Novel co-polyimides containing pBAPS (bis [4-(4-aminophenoxy) phenyl] sulfone) for CO 2 separation
Separation and Purification Technology, Vol. 178, Ocak 2017, s. 90-104, ISSN: 1383-5866
VELİOĞLU SADİYE,AHUNBAY MEHMET GÖKTUĞ,TANTEKİN-ERSOLMAZ S. BİRGUL
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Molecular dynamics investigation of membrane fouling in organic solvents
Journal of Membrane Science, Vol. 632, Ocak 2021, s. 119329, ISSN: 0376-7388
MA YUNQİAO, VELİOĞLU SADİYE, YİN ZİQİANG, YİN ZİQİANG, WANG RONG, JİA WEİ CHEW
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Simulation of H2/CH4 mixture permeation through MOF membranes using non-equilibrium molecular dynamics
Journal of Materials Chemistry A, Vol. 7, No. 5, Ocak 2019, s. 2301-2314, ISSN: 2050-7488
VELİOĞLU SADİYE,KESKİN AVCI SEDA
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Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
Surfaces and Interfaces, Vol. 76, Kasım 2025, ISSN: 2468-0230
GÜNER YILMAZ O. ZEYNEP,KOCAAĞA AYŞE BANU,YILMAZ ANIL,BALCİK MARCEL,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN,YAVUZ REHA,YAVUZ NİLGÜN,TATLIER MELKON,SİRKECİOĞLU AHMET,HOOSHMAND SARA,MİAVAGHİ MEHRAN ALİARİ,ZABARA MOHAMMED AHMED,YÜRÜM ALP,BAYAZIT MUSTAFA KEMAL,BATIREL SAİME,GÜNER FATMA SENİHA
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Solvation of a Cellulose Microfibril in Imidazolium Acetate Ionic Liquids: Effect of a Cosolvent
The Journal of Physical Chemistry B, Vol. 118, No. 51, Aralık 2014, s. 14860-14869, ISSN: 1520-6106
VELİOĞLU SADİYE,YAO XUN,DEVEMY JULİEN,AHUNBAY MEHMET GÖKTUĞ,TANTEKİN-ERSOLMAZ S. BİRGUL,DEQUİDT ALAİN,GOMES MARGARİDA F. COSTA,PADUA AGİLİO A. H.
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The Investigation of Adsorption Processes of Dihalogen Molecules onto Pristine Graphene Surface via Molecular Dynamics and Monte Carlo Simulations
2nd Graphene and Related Technologies: from Laboratory to Industry symposium, 15 Ekim 2015
SÜTAY BERKAY,YURTSEVER MİNE
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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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Mechanical performance and morphological evolution of heat-treated nanoporous gold: A molecular dynamics study
PHYSICA E-LOW-DIMENSIONAL SYSTEMS NANOSTRUCTURES, Vol. 108, Nisan 2019, s. 15-21, ISSN: 1386-9477
ERTURK AHMET SEMİH,YILDIZ YUNUS ONUR,KIRCA MESUT
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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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Molecular modelling of GABA-AT reactivity: From small representative models to the full protein, from molecular mechanics to quantum chemistry, from static to dynamics
BİLİŞİM ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2016
HATİCE GÖKCAN
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