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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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, No. 648366, Mayıs 2021, ISSN: 2296-4185
YENİYURT YEŞİM, KILIÇ SILA, GÜNER YILMAZ O. ZEYNEP, BOZOĞLU SERDAR, MERAN MEHDİ, BAYSAK ELİF, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE, HIZAL GÜRKAN, YAVUZ NİLGÜN, BATIREL SAİME, GÜNER FATMA SENİHA
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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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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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Mechanical characteristics and failure behavior of puckered and buckled allotropes of antimonene nanotubes: a molecular dynamics study
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, Ocak 2023, ISSN: 1463-9076
ÇETİN MURAT, KIRCA MESUT
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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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Compression and shear behavior of ultrathin coated nanoporous gold: A molecular dynamics study
JOURNAL OF APPLIED PHYSICS, Vol. 124, No. 18, Kasım 2018, ISSN: 0021-8979
YILDIZ YUNUS ONUR,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, 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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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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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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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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Design and analysis of sandwiched fullerene graphene composites using molecular dynamics simulations
Composites Part B: Engineering, Vol. 79, Eylül 2015, s. 513-520, ISSN: 13598368
KIRCA MESUT
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Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
Journal of Molecular Modeling, Vol. 23, Ocak 2017, ISSN: 1610-2940","0948-5023
SÜTAY BERKAY, YURTSEVER MİNE
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Can crosslinking improve both CO2 permeability and plasticization resistance in 6FDA-pBAPS/DABA copolyimides?
POLYMER, Vol. 205, Ocak 2020, ISSN: 0032-3861
BALÇIK MARCEL,VELİOĞLU SADİYE,ERSOLMAZ ŞERİFE BİRGÜL,AHUNBAY MEHMET GÖKTUĞ
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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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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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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 dynamics simulation of size, temperature, heating and cooling rates on structural formation of Ag-Cu-Ni ternary nanoparticles (Ag34-Cu33-Ni33)
COMPUTATIONAL MATERIALS SCIENCE, Vol. 183, Ekim 2020, s. 109842, ISSN: 0927-0256
SAFALTIN ŞERZAT,GÜRMEN SEBAHATTİN
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Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
Journal of Molecular Modeling, Vol. 23, No. 5, Mayıs 2017, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE
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Interaction of curcumin in a drug delivery system including a composite with poly(lactic-co-glycolic acid) and montmorillonite: a density functional theory and molecular dynamics study
J. Mater. Chem. B, Vol. 5, No. 40, Ocak 2017, s. 8070-8082, ISSN: 2050-750X
KARATAŞ DENİZ,TEKİN ADEM,BAHADORİ FATEMAH,ÇELİK MEHMET SABRİ
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