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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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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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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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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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 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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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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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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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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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, Ocak 2020, s. 1-9, ISSN: 0022-3697
DEĞİRMENCİ ÜNAL, KIRCA MESUT
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Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors
BIOORGANIC CHEMISTRY, Vol. 115, Ekim 2021, ISSN: 0045-2068
ÖZTEN ÖZGE, ZENGİN KURT BELMA, SÖNMEZ FATİH, DOĞAN BERNA, DURDAĞI SERDAR
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Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer Assay to Identify Novel Hit Compounds Against BCL-2
FRONTIERS IN CHEMISTRY, Vol. 8, Nisan 2020, ISSN: 2296-2646
TUTUMLU GURBET,DOĞAN BERNA,AVSAR TİMUCİN,ORHAN MUGE DİDEM,CALİS SEYMA,DURDAGİ SERDAR
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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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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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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 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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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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