Molecular dynamics simulations can predict the optimum drug loading amount in pectin hydrogels for controlled release
MATERIALS TODAY COMMUNICATIONS, Vol. 31, Şubat 2022, s. 1-11, ISSN: 2352-4928
KOCAAĞA AYŞE BANU,GÜNER FATMA SENİHA,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Using Molecular Dynamics Simulations to Predict the Optimum Drug Concentration in Pectin Hydrogels with Controlled Release
2021 Global Nanobiotechnology Consortium (GNC) E-Conference, 13 Mart 2021
KOCAAĞA BANU, GÜNER FATMA SENİHA, KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
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In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors
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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-GENERAL SUBJECTS, Şubat 2021, ISSN: 0304-4165
GÜVENSOY MORKOYUN AYSA,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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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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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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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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Nanoporous gold reinforced with carbon based nanomaterials: A molecular dynamics study
COMPOSITES PART B-ENGINEERING, Vol. 151, No. null, Ekim 2018, s. 62-70, ISSN: 1359-8368
GÜLMEZ DENİZ EZGİ,YILDIZ YUNUS ONUR,KIRCA MESUT
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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, Kasım 2024, ISSN: 1549-9618
GÜVENSOY MORKOYUN AYSA,VELİOĞLU SADİYE,BAYSAL TUĞBA,ERSOLMAZ ŞERİFE BİRGÜL
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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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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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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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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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Exploring the Role of Solvent Properties in the Permeance of Ti3C2O2 Nanofiltration Membranes Through Molecular Dynamics Simulations
MEMTEK2025, İzmir/TÜRKİYE, 12 Kasım 2025, s. 217-218
BAYSAL TUĞBA,GÜVENSOY MORKOYUN AYSA,TANTEKİN-ERSOLMAZ S. BİRGUL,VELİOĞLU SADİYE
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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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