On determining the thermal state of individual atoms in molecular dynamics simulations of nonequilibrium processes in solids
Chemical Physics Letters, Vol. 506, No. 4-6, Nisan 2011, s. 290-297, ISSN: 00092614
FU YAO,KIRCA MESUT,TO ALBERT CHIFU
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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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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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Structural and Thermal Properties of Indium Phosphide Nanoparticles Molecular Dynamics Simulations
Journal of Computational and Theoretical Nanoscience, Vol. 12, No. 9, Eylül 2015, s. 2134-2139, ISSN: 15461955
NAYİR NADİRE,TAŞCI EMRE,ŞAKİR ERKOÇ
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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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Peg Modified Single-Walled Carbon Nanotubes: Molecular Dynamics Simulations and Experimental Approach
3rd International Porous and Powder Materials Symposium and Exhibition PPM, 12 Eylül 2017
MERAN MEHDİ PARTOVİ,AKKUS PELİN DENİZ,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,KARATEPE NILGUN,HIZAL GÜRKAN,GÜNER FATMA SENİHA
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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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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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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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Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations
Carbon, Nisan 2022, ISSN: 0008-6223
NAYİR NADİRE, SENGUL MERT, COSTİNE ANNA, REİNKE PETRA, RAJABPOUR SİAVASH, BANSAL ANUSHKA, KOZHAKHMETOV AZİMKHAN, ROBİNSON JOSHUA, REDWİNG JOAN, VAN DUİN ADRİ
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Peg Modified Single-Walled Carbon Nanotubes: Molecular Dynamics Simulations And Experimental Approach
The Porous and Powder Materials Symposium and Exhibitions, PPM 2017, 12 Eylül 2017
MERAN MEHDİ PARTOVİ,AKKUŞ PELİN DENİZ,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,YAVUZ NİLGÜN,HIZAL GÜRKAN,GÜNER FATMA SENİHA
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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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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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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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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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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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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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