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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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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The Inhibition Mechanism of Pancreatic Ductal Adenocarcinoma via LXR Receptors: A Multifaceted Approach Integrating Molecular Docking, Molecular Dynamics and Post-MD Inter-Molecular Contact Analysis
Asian Pacific Journal of Cancer Prevention, Vol. 24, No. 12, Aralık 2023, s. 4103-4109, ISSN: 2476-762X
AĞAR SOYKAN, AKKURT BARBAROS, ULUKAYA ENGİN
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Omicron BA.1 and BA.2 variants increase the interactions of SARS-CoV-2 spike glycoprotein with ACE2
Journal of Molecular Graphics and Modelling, Vol. 117, Aralık 2022, ISSN: 1093-3263
GÖLCÜK MERT, YILDIZ AHMET, GÜR MERT
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SARS-CoV-2 Delta Variant Decreases Nanobody Binding and ACE2 Blocking Effectivity
Journal of Chemical Information and Modeling, Vol. 62, Mayıs 2022, ISSN: 1549-9596
GÖLCÜK MERT, HACISÜLEYMAN AYSİMA, YILMAZ SEMA ZEYNEP, TAKA ELHAN, YILDIZ AHMET, GÜR MERT
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Exploring the binding mechanisms of nanobodies targeting SARS-CoV-2 spike glycoprotein using molecular dynamics simulations
2021 ACS Fall Meeting., Atlanta/AMERİKA BİRLEŞİK DEVLETLERİ, 22 Ağustos 2021
GÖLCÜK MERT, HACISÜLEYMAN AYSİMA, ERMAN BURAK, YILDIZ AHMET, GÜR MERT
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Molecular dynamics simulations of site point mutations in the TPR domain of cyclophilin 40 identify conformational states with distinct dynamic and enzymatic properties
JOURNAL OF CHEMICAL PHYSICS, Vol. 148, No. 14, Nisan 2018, s. 145101, ISSN: 0021-9606
GÜR MERT, BLACKBURN ELIZABETH A, NING JIA, NARAYAN VIKRAM, BALL KATHRYN L, WALKINSHAW MALCOLM D, ERMAN BURAK
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Combining Optimal Control Theory and Molecular Dynamics for Protein Folding
PLoS ONE, Vol. 7, No. 1, Ocak 2012, s. 29628, ISSN: 1932-6203
ARKUN ZİYA YAMAN,GÜR MERT
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Why protein conformers in molecular dynamics simulations differ from their crystal structures: a thermodynamic insight
TURKISH JOURNAL OF CHEMISTRY, Vol. 43, No. 2, Nisan 2019, s. 394-403, ISSN: 1300-0527
FILIPO PULLARA, WENZHI MAO, GÜR MERT
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Molecular dynamics simulations provide molecular insights into the role of HLA‐B51 in Behçet’s disease pathogenesis
Chemical Biology & Drug Design, Vol. 96, No. 1, Temmuz 2020, s. 644-658, ISSN: 1747-0277
GÜR MERT, GÖLCÜK MERT, GÜL AHMET, ERMAN BURAK
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Transition pathways of Dopamine transporters explored by combining Molecular Dynamics simulations and Monte Carlo sampling of collective modes
Membrane Protein Structural Dynamics Consortium’s Annual Meeting, 1 Mayıs 2012
GÜR MERT,MADURA JEFFRY,BAHAR İVET
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Protein folding using coarse grained optimal control and Molecular Dynamics
18th International Federation of Automatic Control (IFAC) World Congress, 28 Ağustos 2011
ARKUN ZİYA YAMAN,GÜR MERT
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MOLECULAR DYNAMICS SIMULATIONS OF THE DYNEIN LINKER MOVEMENT
THE 12TH INTERNATIONAL SYMPOSIUM ON HEALTH INFORMATICS AND BIOINFORMATICS, 17 Ekim 2019
GÖLCÜK MERT, TAKA ELHAN, YILMAZ SEMA ZEYNEP, GÜR MERT
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Transition pathways of proteins explored by combining Molecular Dynamics simulations and Monte Carlo sampling of collective modes
Biophysical Society 56th Annual Meeting, Vol. 102, No. 3, 25 Şubat 2012, s. 450
GÜR MERT,MADURA JEFFRY,BAHAR İVET
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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 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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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 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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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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Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing
STRUCTURE, Vol. 29, No. 12, Aralık 2021, s. 1382, ISSN: 0969-2126
DURDAĞI SERDAR, DOĞAN BERNA, DEMİRCİ HASAN
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