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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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 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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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 study of the thermal conductivity in nanofluids
CHEMICAL PHYSICS, Vol. 516, Ocak 2018, s. 147-151, ISSN: 0301-0104
TOPAL IREM,SERVANTİE CEM ÖZGÜR
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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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Molecular dynamics simulations of adsorption of long pyrene-PEG chains on athin carbon nanotube
TURKISH JOURNAL OF CHEMISTRY, Vol. 43, No. 4, Ağustos 2019, s. 1159-1169, ISSN: 1300-0527
AKKUS PELİN DENİZ,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Collective Dynamics of Eco-RI DNA Complex by Elastic Network Model and Molecular Dynamics Simulations
Journal of Biomolecular Structure and Dynamics, Vol. 24, No. 1, Ağustos 2006, s. 1-15, ISSN: 0739-1102
DORUKER TURGUT PEMRA,NILSSON LENNART,KÜRKÇÜOĞLU AYŞE ÖZGE
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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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Fmoc-PEG Coated Single-Wall Carbon Nanotube Carriers by Non-covalent Functionalization: An Experimental and Molecular Dynamics Study
Frontiers in Bioengineering and Biotechnology, Vol. 9, Ocak 2021, ISSN: 2296-4185
YENİYURT YEŞİM, KILIÇ SILA, GÜNER ÖZDE ZEYNEP, BOZOĞLU SERDAR, MERAN MEHDİ, BAYSAK ELİF, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, HIZAL GÜRKAN, YAVUZ NİLGÜN, BATIREL SAİME, GÜNER FATMA SENİHA
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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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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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The Inhibition Mechanism of Pancreatic Ductal Adenocarcinoma via LXR Receptors: A Multifaceted Approach Integrating Molecular Docking, Molecular Dynamics and Post-MD Inter-Molecular Contact Analysis
Asian Pacific Journal of Cancer Prevention, Vol. 24, No. 12, Aralık 2023, s. 4103-4109, ISSN: 2476-762X
AĞAR SOYKAN, AKKURT BARBAROS, ULUKAYA ENGİN
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The Inhibition of RXRα and RXRβ Receptors Provides Valuable Insights for Potential Prostate Cancer Treatment, in silico Molecular Docking and Molecular Dynamics Studies
Asian Pacific Journal of Cancer Prevention, Vol. 25, No. 7, Temmuz 2024, s. 2329-2335, ISSN: 2476-762X
AĞAR SOYKAN,AKKURT BARBAROS,ULUKAYA ENGİN
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Inhibition of pancreatic cancer via LPAR4 receptor with a de novo drug complex design using theoretical organic chemistry: Comprehensive molecular docking, molecular dynamics
Journal of Research in Pharmacy, Vol. 28, No. 4, Ocak 2024, s. 1033-1040, ISSN: 2630-6344
AĞAR SOYKAN,ARASAN YAREN,AKKURT BARBAROS,ULUKAYA ENGİN
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Structural investigation of vesnarinone at the pore domains of open and open-inactivated states of hERG1 K channel
JOURNAL OF MOLECULAR GRAPHICS MODELLING, Vol. 77, No. null, 2017, s. 399-412, ISSN: 1093-3263
KAYİK GULRU,TÜZÜN NURCAN,DURDAĞI SERDAR
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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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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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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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