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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The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle surface free energy AFM and molecular dynamics simulation
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 408, No. 408, Ağustos 2012, s. 22-31, ISSN: 09277757
BENLİ BİRGÜL,DU HAO,ÇELİK MEHMET SABRİ
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De novo Antineoplastic Drug Design to Suppress Head, Neck and Oral Cancer using Theoretical Organic and Biochemistry via Comprehensive Molecular Docking and Dynamics
Asian Pacific Journal of Cancer Prevention, Vol. 25, No. 8, Ağustos 2024, s. 2905-2909, ISSN: 2476-762X
AĞAR SOYKAN,MOKHTARİ MOHADDESEH,YANIK MUHAMMED,AKKURT BARBAROS,ULUKAYA ENGİN,TERZİ RABİA
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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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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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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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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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Cytotoxic effects, carbonic anhydrase isoenzymes, α-glycosidase and acetylcholinesterase inhibitory properties, and molecular docking studies of heteroatom-containing sulfonyl hydrazone derivatives
Journal of Biomolecular Structure and Dynamics, Vol. 39, Ocak 2021, ISSN: 0739-1102
ÇELEBİOĞLU HASAN UFUK, ERDEN YAVUZ, HAMURCU FATMA, TASLIMI PARHAM, ŞENTÜRK OZAN SANLI, ÖZDEMİR ÖZMEN ÜMMÜHAN, TÜZÜN BURAK, GÜLÇİN İLHAMİ
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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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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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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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Design and molecular dynamics of multifunctional sulfonated poly(dimethylaminoethyl methacrylate)/mica hybrid cryogels through freezing-induced gelation
SOFT MATTER, Vol. 15, No. 35, Eylül 2019, s. 7043-7062, ISSN: 1744-683X
ÖKTEN BEŞLİ NUR SENA, KAYA BERİL, ORAKDÖĞEN NERMİN
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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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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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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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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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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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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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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, KİLİC SİLA, GÜNER Ö. ZEYNEP, BOZOGLU SERDAR, MERAN MEHDİ, BAYSAK ELİF, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, HIZAL GÜRKAN, YAVUZ NİLGÜN, BATIREL SAİME, GÜNER FATMA SENİHA
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