De novo Antineoplastic Drug Design to Suppress Head, Neck and Oral Cancer using Theoretical Organic and Biochemistry via Comprehensive Molecular Docking and Dynamics
Asian Pacific Journal of Cancer Prevention, Vol. 25, No. 8, Ağustos 2024, s. 2905-2909, ISSN: 2476-762X
AĞAR SOYKAN,MOKHTARİ MOHADDESEH,YANIK MUHAMMED,AKKURT BARBAROS,ULUKAYA ENGİN,TERZİ RABİA
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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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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,ERSOLMAZ ŞERİFE BİRGÜL,VELİOĞLU SADİYE
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Investigation of mechanical properties of graphene-CNT reinforced nickel metal matrix nanocomposite structure
Türk Doğa ve Fen Dergisi, Vol. 13, No. 1, Mart 2024, s. 133-141, ISSN: 2149-6366
DEĞİRMENCİ ÜNAL
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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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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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Phylogenetic, structural, and functional characterization of AMT31, an ammonium transporter induced by mycorrhization among model grasses
MYCORRHIZA, Vol. 27, No. 7, Ocak 2017, s. 695-708, ISSN: 0940-6360
KOEGEL SALLY,MİEULET DELPHİNE,BADAY SEFER,CHATAGNİER ODİLE,LEHMANN MORİTZ F.,WİEMKEN ANDRES,BOLLER THOMAS,WİPF DANİEL,BERNECHE SİMON,GUİDERDONİ EMMANUEL,COURTY PİERRE-EMMANUEL
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Supramolecular Peptide Nanofiber Morphology Affects Mechanotransduction of Stem Cells
BIOMACROMOLECULES, Vol. 18, No. 10, Ocak 2017, s. 3114-3130, ISSN: 1525-7797
ARSLAN ELİF,KOC MERYEM HATİP,UYSAL OZGE,DİKECOGLU BEGUM,TOPAL AHMET E.,GARİFULLİN RUSLAN,OZKAN ALPER D.,DANA AYKUTLU,HERMİDA-MERİNO DANİEL,CASTELLETTO VALERİA,EDWARDS-GAYLE CHARLOTTE,BADAY SEFER,HAMLEY IAN,GULER MUSTAFA O.,TEKİNAY AYSE B.
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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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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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Design and mechanical characterization of a novel carbon-based hybrid foam: A molecular dynamics study
Computational Materials Science, Vol. 154, Kasım 2018, s. 122-131, ISSN: 0927-0256
DEĞİRMENCİ ÜNAL,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, No. 109130, Ocak 2020, s. 1-9, ISSN: 0022-3697
DEĞİRMENCİ ÜNAL,KIRCA MESUT
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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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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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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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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 Studies on Homodimeric and Monomeric MAO-A and MAO-B Isomers in Different Media: Understanding of Lİgand Binding and Enzyme Selectivity
1st International Balkan Chemistry Congress, Edirne/TÜRKİYE, 17 Eylül 2018
İŞ YUSUF SERHAT,DURDAĞI SERDAR,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, Mayıs 2017, ISSN: 1610-2940
SÜTAY BERKAY,YURTSEVER MİNE
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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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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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