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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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 FATEMEH,ÇELİK MEHMET SABRİ
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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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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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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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Contact angle of montmorillonite basal surface as determined by experimental and molecular dynamics simulation
Balkan Mineral Processing Congress, 31 Ekim 2017
KARATAŞ DENİZ,HOJİYEV RUSTAM,ÇELİK MEHMET SABRİ
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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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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 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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Mechanical properties of fullerene embedded silicon nanowires
ARCHIVE OF APPLIED MECHANICS, Vol. 93, Nisan 2023, s. 355-367, ISSN: 0939-1533
ERBAŞ BERKE, YARDIM SARVEN, 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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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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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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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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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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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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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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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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Optimization of seed-induced lateral liquid beam epitaxy growth of germanium on insulator by molecular dynamics
Collaborative Conference on 3D and Materials Research (CC3DMR-2015), 15 Haziran 2015
NAYİR NADİRE, TAŞCI EMRE, ÖZYURT İREM, YERCİ SELÇUK, ERKOÇ ŞAKİR
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