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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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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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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Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
American Chemical Society (ACS), Vol. 127, Eylül 2023, ISSN: 1932-7447
DEMİR SAMET, TORKASHVAND MOSTAFA, JOUYBAR SHİRZAD, NİKFARJAM ZAHRA, ZARGARİ FARSHİD, TAFRESHİ SAEEDEH SARABADANİ, TEKİN ADEM
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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, Ocak 2022, ISSN: 2352-4928
KOCAAĞA AYŞE BANU, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, GÜNER FATMA SENİHA
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Using Molecular Dynamics Simulations to Predict the Optimum Drug Concentration in Pectin Hydrogels with Controlled Release
Global Nanobio Technology E-Conference, Florida/AMERİKA BİRLEŞİK DEVLETLERİ, 1 Mart 2021
KOCAAĞA AYŞE BANU, GÜNER FATMA SENİHA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors
BIOORGANIC CHEMISTRY, Vol. 115, Ekim 2021, ISSN: 0045-2068
ÖZTEN ÖZGE, ZENGİN KURT BELMA, SÖNMEZ FATİH, DOĞAN BERNA, DURDAĞI SERDAR
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Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations
Carbon, Nisan 2022, ISSN: 0008-6223
NAYİR NADİRE, SENGUL MERT, COSTİNE ANNA, REİNKE PETRA, RAJABPOUR SİAVASH, BANSAL ANUSHKA, KOZHAKHMETOV AZİMKHAN, ROBİNSON JOSHUA, REDWİNG JOAN, VAN DUİN ADRİ
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Understanding physical chemistry of Ba<sub><i>x<\/i><\/sub>Sr<sub>1−<i>x<\/i><\/sub>TiO<sub>3<\/sub> using ReaxFF molecular dynamics simulations
Physical Chemistry Chemical Physics, Vol. 23, Ekim 2021, ISSN: 1463-9076
AKBARİAN DOOMAN, NAYİR NADİRE, VAN DUİN ADRİ
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Structural and Thermal Properties of Indium Phosphide Nanoparticles Molecular Dynamics Simulations
Journal of Computational and Theoretical Nanoscience, Vol. 12, No. 9, Eylül 2015, s. 2134-2139, ISSN: 15461955
NAYİR NADİRE,TAŞCI EMRE,ŞAKİR ERKOÇ
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Structural properties of indium phosphide nanorods: molecular dynamics simulations
International Journal of Nanotechnology, Vol. 13, Ocak 2016, s. 809, ISSN: 1475-7435
NAYİR NADİRE,TAŞCI EMRE,ERKOÇ ŞAKİR
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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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Molecular dynamics simulations can predict the optimum drug loading amount in pectin hydrogels for controlled release
Materials Today Communications, Vol. 31, Haziran 2022, ISSN: 2352-4928
KOCAAGA BANU, GÜNER FATMA SENİHA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Molecular Mechanism of Protein Arginine Deiminase 2: A Study Involving Multiple Microsecond Long Molecular Dynamics Simulations
BIOCHEMISTRY, Ocak 2022, s. 12, ISSN: 0006-2960
ÇİÇEK ERDEM, MONARD GERALD, SUNGUR FETHİYE AYLİN
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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, Ocak 2022, ISSN: 2352-4928
KOCAAĞA AYŞE BANU, GÜNER FATMA SENİHA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Exploring Allosteric Signaling in the Exit Tunnel of the Bacterial Ribosome by Molecular Dynamics Simulations and Residue Network Model
Frontiers in Molecular Biosciences, Vol. 7, Eylül 2020, ISSN: 2296-889X
GÜZEL PELİN,YILDIRIM HATİCE ZEYNEP,YÜCE MERVE,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Peg Modified Single-Walled Carbon Nanotubes: Molecular Dynamics Simulations and Experimental Approach
3rd International Porous and Powder Materials Symposium and Exhibition PPM, 12 Eylül 2017
MERAN MEHDİ PARTOVİ,AKKUS PELİN DENİZ,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,KARATEPE NILGUN,HIZAL GÜRKAN,GÜNER FATMA SENİHA
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Peg Modified Single-Walled Carbon Nanotubes: Molecular Dynamics Simulations And Experimental Approach
The Porous and Powder Materials Symposium and Exhibitions, PPM 2017, 12 Eylül 2017
MERAN MEHDİ PARTOVİ,AKKUŞ PELİN DENİZ,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,YAVUZ NİLGÜN,HIZAL GÜRKAN,GÜNER FATMA SENİHA
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Computational assessment of thermostability in miRNA:CNT system using molecular dynamics simulations
Biochimica et Biophysica Acta (BBA) - General Subjects, Vol. 1865, Ocak 2021, ISSN: 0304-4165
GÜVENSOY AYSA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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