Desalination potential of aquaporin-inspired functionalization of carbon nanotubes: bridging between simulation and experiment
ACS APPLIED MATERIALS & INTERFACES, Haziran 2022, ISSN: 1944-8244
GÜVENSOY MORKOYUN AYSA,AHUNBAY MEHMET GÖKTUĞ,VELİOĞLU SADİYE,ERSOLMAZ ŞERİFE BİRGÜL
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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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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,TANTEKİN-ERSOLMAZ S. BİRGUL,VELİOĞLU SADİYE
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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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Understanding membrane fouling by oil-in-water emulsion via experiments and molecular dynamics simulations
Journal of Membrane Science, Vol. 566, Ocak 2018, s. 140-150, ISSN: 0376-7388
TANİS-KANBUR MELİKE BEGUM,VELİOĞLU SADİYE,TANUDJAJA HENRY J.,HU XİAO,JİA WEİ CHEW
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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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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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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
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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Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
Surfaces and Interfaces, Vol. 76, Kasım 2025, ISSN: 2468-0230
GÜNER YILMAZ O. ZEYNEP,KOCAAĞA AYŞE BANU,YILMAZ ANIL,BALCİK MARCEL,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE,SUNGUR FETHİYE AYLİN,YAVUZ REHA,YAVUZ NİLGÜN,TATLIER MELKON,SİRKECİOĞLU AHMET,HOOSHMAND SARA,MİAVAGHİ MEHRAN ALİARİ,ZABARA MOHAMMED AHMED,YÜRÜM ALP,BAYAZIT MUSTAFA KEMAL,BATIREL SAİME,GÜNER FATMA SENİHA
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Compression and shear behavior of ultrathin coated nanoporous gold: A molecular dynamics study
JOURNAL OF APPLIED PHYSICS, Vol. 124, No. 18, Kasım 2018, ISSN: 0021-8979
YILDIZ YUNUS ONUR,KIRCA MESUT
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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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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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Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
Journal of Molecular Modeling, Vol. 23, No. 5, Ocak 2017, s. 1-10, ISSN: 1610-2940","0948-5023
SÜTAY BERKAY,YURTSEVER MİNE
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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, 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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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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The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle surface free energy AFM and molecular dynamics simulation
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 408, No. 408, Ağustos 2012, s. 22-31, ISSN: 09277757
BENLİ BİRGÜL,DU HAO,ÇELİK MEHMET SABRİ
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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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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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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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