Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)
Molecular Simulation, Vol. 47, Ocak 2021, ISSN: 0892-7022","1029-0435
AYVAZ KÖROĞLU MERVE, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, SUNGUR FETHİYE AYLİN
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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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Controlled Release of Anti-Inflammatory Drugs from Mesoporous Drug Host MIL-101 (Cr), Effect of Framework Flexibility in Molecular Dynamics Simulations
22nd European Symposium on Quantitative Structure-Activity Relationships (EuroQSAR 2018), 16 Eylül 2018
AYVAZ KÖROĞLU MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN
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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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Molecular dynamics simulations of apo holo and inactivator bound GABA at reveal the role of active site residues in PLP dependent enzymes
Proteins: Structure, Function, and Bioinformatics, Vol. 84, No. 7, Temmuz 2016, s. 875-891, ISSN: 08873585
GÖKCAN HATİCE,MONARD GERALD,SUNGUR FETHİYE AYLİN
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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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Investigating the interactions of Axitinib, a tyrosine kinase inhibitor, with DNA: experimental studies, molecular docking, and molecular dynamics simulations
Nucleosides, Nucleotides & Nucleic Acids, Haziran 2025, ISSN: 1525-7770
ŞENEL PELİN,AL FAYSAL ABDULLAH,AĞAR SOYKAN,YURTSEVER MİNE,GÖLCÜ AYŞEGÜL
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Exploring the Role of Solvent Properties in the Permeance of Ti3C2O2 Nanofiltration Membranes Through Molecular Dynamics Simulations
MEMTEK2025, İzmir/TÜRKİYE, 12 Kasım 2025, s. 217-218
BAYSAL TUĞBA,GÜVENSOY MORKOYUN AYSA,TANTEKİN-ERSOLMAZ S. BİRGUL,VELİOĞLU SADİYE
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Guide for Nonequilibrium Molecular Dynamics Simulations of Organic Solvent Transport in Nanopores: The Case of 2D MXene Membranes
Journal of Chemical Theory and Computation, Vol. 20, No. 21, Kasım 2024, s. 9642-9654, ISSN: 1549-9618
GÜVENSOY MORKOYUN AYSA,BAYSAL TUĞBA,TANTEKİN-ERSOLMAZ S. BİRGUL,VELİOĞLU SADİYE
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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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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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Understanding membrane pore-wetting in the membrane distillation of oil emulsions via molecular dynamics simulations
Journal of Membrane Science, Vol. 551, Ocak 2018, s. 76-84, ISSN: 0376-7388
VELİOĞLU SADİYE,HAN LE,JİA WEİ CHEW
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Understanding membrane fouling by oil-in-water emulsion via experiments and molecular dynamics simulations
Journal of Membrane Science, Vol. 566, Ocak 2018, s. 140-150, ISSN: 0376-7388
TANİS-KANBUR MELİKE BEGUM,VELİOĞLU SADİYE,TANUDJAJA HENRY J.,HU XİAO,JİA WEİ CHEW
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Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
SURFACES AND INTERFACES, Vol. 76, Ocak 2025, s. 14, ISSN: 2468-0230
SİRKECİOĞLU AHMET,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN,BATIREL SAİME,GÜNER FATMA SENİHA,GÜNER-YILMAZ Ö. ZEYNEP,KOCAGA BANU,TATLIER MELKON,YILMAZ ANIL,MİAVAGHİ MEHRAN ALİARİ,BAYAZIT MUSTAFA KEMAL,YÜRÜM ALP,ZABARRA MOHAMMED AHMED,HOOSHMAND SARA,YAVUZ NİLGÜN,YAVUZ REHA
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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, s. 14, ISSN: 2468-0230
GÜNER-YILMAZ ZEYNEP,KOCAAĞA AYŞE BANU,YILMAZ ANIL,BALÇIK MARCEL,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN,YAVUZ REHA,KARATEPE 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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Guide for Nonequilibrium Molecular Dynamics Simulations of Organic Solvent Transport in Nanopores: The Case of 2D MXene Membranes
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Kasım 2024, ISSN: 1549-9618
GÜVENSOY MORKOYUN AYSA,VELİOĞLU SADİYE,BAYSAL TUĞBA,ERSOLMAZ ŞERİFE BİRGÜL
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Computational assessment of thermostability in miRNA: CNT system using molecular dynamics simulations
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, Şubat 2021, ISSN: 0304-4165
GÜVENSOY MORKOYUN AYSA,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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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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Investigation of mechanical properties of graphene-CNT reinforced nickel metal matrix nanocomposite structure
Türk Doğa ve Fen Dergisi, Vol. 13, No. 1, Mart 2024, s. 133-141, ISSN: 2149-6366
DEĞİRMENCİ ÜNAL
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Investigation of Grain Size Effect on the Tensile Behavior of Nano-Crystalline Aluminum by Molecular Dynamics Simulations
International Conference on Physical Chemistry and Functional Materials (PCMF'18), Elazığ/TÜRKİYE, 19 Haziran 2018, s. 207-207
DEĞİRMENCİ ÜNAL,ERTÜRK AHMET SEMİH,YILDIZ YUNUS ONUR,KIRCA MESUT
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