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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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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Mechanical properties of SWNT X Junctions through molecular dynamics simulation
International Journal of Smart and Nano Materials, Vol. 3, No. 1, Mart 2012, s. 33-46, ISSN: 1947-5411
STORMER B A,PIPER N M,YANG X M,TAO J,FU YAO,KIRCA MESUT,TO ALBERT C
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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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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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Phylogenetic, structural, and functional characterization of AMT31, an ammonium transporter induced by mycorrhization among model grasses
MYCORRHIZA, Vol. 27, No. 7, Ocak 2017, s. 695-708, ISSN: 0940-6360
KOEGEL SALLY,MİEULET DELPHİNE,BADAY SEFER,CHATAGNİER ODİLE,LEHMANN MORİTZ F.,WİEMKEN ANDRES,BOLLER THOMAS,WİPF DANİEL,BERNECHE SİMON,GUİDERDONİ EMMANUEL,COURTY PİERRE-EMMANUEL
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Hierarchical Self-Assembly of Histidine-Functionalized Peptide Amphiphiles into Supramolecular Chiral Nanostructures
LANGMUIR, Vol. 33, No. 32, Ocak 2017, s. 7947-7956, ISSN: 0743-7463
KOC MERYEM HATİP,CİFTCİ GOKSU CİNAR,BADAY SEFER,CASTELLETTO VALERİA,HAMLEY IAN W.,GULER MUSTAFA O.
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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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Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications
Frontiers Media SA, Vol. 4, Ekim 2022, ISSN: 2673-3013
MAO QİAN, ZHANG YUWEİ, NAYİR NADİRE, KOWALİK MALGORZATA, VAN DUİN ADRİ, CHANDROSS MİCHAEL
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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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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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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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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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Supramolecular Peptide Nanofiber Morphology Affects Mechanotransduction of Stem Cells
BIOMACROMOLECULES, Vol. 18, No. 10, Ocak 2017, s. 3114-3130, ISSN: 1525-7797
ARSLAN ELİF,KOC MERYEM HATİP,UYSAL OZGE,DİKECOGLU BEGUM,TOPAL AHMET E.,GARİFULLİN RUSLAN,OZKAN ALPER D.,DANA AYKUTLU,HERMİDA-MERİNO DANİEL,CASTELLETTO VALERİA,EDWARDS-GAYLE CHARLOTTE,BADAY SEFER,HAMLEY IAN,GULER MUSTAFA O.,TEKİNAY AYSE B.
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Molecular dynamics simulation of phase transitions in binary LJ clusters
Turk. J. Chem., Vol. 26, Ocak 2002, s. 627
TEKİN ADEM,YURTSEVER MİNE
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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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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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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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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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