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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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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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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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,ERSOLMAZ ŞERİFE BİRGÜL,VELİOĞLU SADİYE
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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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Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulations
Journal of Biomolecular Structure and Dynamics, Vol. 41, No. 20, Ocak 2023, s. 10774-10784, ISSN: 0739-1102
EROL ISMAİL, KOTİL ENES SEYFULLAH, ORTAKCI FATİH, DURDAĞI SERDAR
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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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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 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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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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Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)
MOLECULAR SIMULATION, Vol. 47, No. 18, Aralık 2021, s. 1530-1539, ISSN: 0892-7022
AYVAZ KÖROĞLU MERVE, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, SUNGUR FETHİYE AYLİN
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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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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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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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