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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Optimizing number of Raman spectra using an artificial neural network guided Monte Carlo simulation approach to analyze human cortical bone
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 325, Ocak 2025, ISSN: 1386-1425
ÜNAL SAFA,MAYDA MURAT,NYMAN JEFFRY S.,ÜNAL MUSTAFA
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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, Mayıs 2017, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE
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Contact angle of montmorillonite basal surface as determined by experimental and molecular dynamics simulation
Balkan Mineral Processing Congress, 31 Ekim 2017
KARATAŞ DENİZ,HOJİYEV RUSTAM,ÇELİK MEHMET SABRİ
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Mechanistic understanding of the adsorption of natural organic matter by heated aluminum oxide particles (HAOPs) via molecular dynamics simulation
Journal of Membrane Science, Vol. 598, Kasım 2020, s. 117651, ISSN: 0376-7388
MA YUNQİAO,VELİOĞLU SADİYE,TANİS-KANBUR MELİKE BEGUM,WANG RONG,JİA WEİ CHEW
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Targeting Ubiquitin-Specific Protease 7 (USP7): A Pharmacophore-Guided Drug Repurposing and Physics-Based Molecular Simulation Study
ACS Omega, Ekim 2025, ISSN: 2470-1343
KANAN DUAA,KANAN TAREK,DOĞAN BERNA,EROL İSMAİL,DURDAĞI SERDAR
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Novel co-polyimides containing pBAPS (bis [4-(4-aminophenoxy) phenyl] sulfone) for CO 2 separation
Separation and Purification Technology, Vol. 178, Ocak 2017, s. 90-104, ISSN: 1383-5866
VELİOĞLU SADİYE,AHUNBAY MEHMET GÖKTUĞ,TANTEKİN-ERSOLMAZ S. BİRGUL
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Investigation of Surfactant-Membrane Interaction Using Molecular Dynamics Simulation with Umbrella Sampling
ACS ES&T Engineering, Vol. 1, No. 10, Ekim 2021, s. 1470-1480, ISSN: 2690-0645
MA YUNQİAO, VELİOĞLU SADİYE, TRİNH THEİN AN, WANG RONG, JİA WEİ CHEW
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Simulation of H2/CH4 mixture permeation through MOF membranes using non-equilibrium molecular dynamics
Journal of Materials Chemistry A, Vol. 7, No. 5, Ocak 2019, s. 2301-2314, ISSN: 2050-7488
VELİOĞLU SADİYE,KESKİN AVCI SEDA
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Influence of hydrogen bond on the mesomorphic behaviour in urethane based liquid crystalline compounds: Experimental and computer simulation study
JOURNAL OF MOLECULAR LIQUIDS, Vol. 317, Ağustos 2020, s. 114001, ISSN: 0167-7322
KORKMAZ BURAK, AGTAS SİNEM, SUTAY BERKAY, YILDIRIM EROL, YILGÖR İSKENDER, YURTSEVER MİNE, ŞENKAL BAHİRE FİLİZ, GÜRSEL YEŞİM
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Synthesis, characterization, and molecular simulation of 6FDA/BTDA-pBAPS copolyimide membrane for CO2/CH4 separation
EUROMEMBRANE 2009 Conference,, Montpellier/FRANSA, 6 Eylül 2009
HALİTOĞLU SADİYE,YILMAZ ÖZGE,ORAL ÇİĞDEM,AHUNBAY MEHMET GÖKTUĞ,ERSOLMAZ ŞERİFE BİRGÜL
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High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture
ACS Applied Materials & Interfaces, Vol. 10, No. 39, Ocak 2018, s. 33693-33706, ISSN: 1944-8244
AVCİ GOKAY,VELİOĞLU SADİYE,KESKİN AVCI SEDA
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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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Influence of hydrogen bond on the mesomorphic behaviour in urethane based liquid crystalline compounds: Experimental and computer simulation study
JOURNAL OF MOLECULAR LIQUIDS, Vol. 317, Ağustos 2020, s. 114001-114010, ISSN: 0167-7322
KORKMAZ BURAK, AĞTAŞ SİNEM, SÜTAY BERKAY, YILDIRIM EROL, YILGÖR İSKENDER, YURTSEVER MİNE, ŞENKAL BAHİRE FİLİZ, GÜRSEL YEŞİM
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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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Molecular Simulation of CO2-Induced Plasticization in 6FDA-Based Polyimides in the Presence of Residual Solvent
AIChE 2012, Pittsburg/AMERİKA BİRLEŞİK DEVLETLERİ, 28 Ekim 2012
VELİOĞLU SADİYE, AHUNBAY MEHMET GÖKTUĞ, TANTEKİN-ERSOLMAZ S. BİRGUL
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Propane/propylene plasticization in polyimide membranes via molecular simulation methods
ICOM2011, Amsterdam/HOLLANDA, 23 Temmuz 2011
VELİOĞLU SADİYE, AHUNBAY MEHMET GÖKTUĞ, TANTEKİN-ERSOLMAZ S. BİRGUL
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Effect of Cross-Linking on CO2-Induced Plasticization Resistance of Polyimides Containing DABA Diamine - A Molecular Simulation Study
AIChE Annual Meeting-2018, Pittsburg/AMERİKA BİRLEŞİK DEVLETLERİ, 28 Ekim 2018
BALÇIK MARCEL, VELİOĞLU SADİYE, TANTEKİN-ERSOLMAZ S. BİRGUL, AHUNBAY MEHMET GÖKTUĞ
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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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Prediction of plasticization resistance of polyimide membrane via molecular simulation
ICOM2014, Suzhou/ÇİN HALK CUMHURİYETİ, 20 Temmuz 2014
VELİOĞLU SADİYE, AHUNBAY MEHMET GÖKTUĞ, TANTEKİN-ERSOLMAZ S. BİRGUL
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