ARAMA SONUÇLARI

Toplam 103 adet sonuçtan 20 tanesi görüntülenmektedir.

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

Sebahattin Gürmen Özgün Makale

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

Fethiye Aylin Sungur Özgün Makale

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

Ünal Değirmenci Özgün Makale

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

Ünal Değirmenci Özgün Makale Nano-structuresHybridMechanical propertiesComputational modelling

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

Şerife Birgül Ersolmaz Özgün Makale

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

Aysa Güvensoy Morkoyun Özgün Makale biomimetic membranedesalinationmolecular dynamics

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

Berna Doğan Özgün Makale TacrineCarbamateCovalent DockingMD simulationsAlzheimer's diseaseBIOLOGICAL EVALUATIONACETYLCHOLINESTERASE INHIBITORSPHARMACOLOGICAL EVALUATIONACID HYBRIDSDESIGNAGENTSPREDICTIONPROTEINRIVASTIGMINELIGANDS

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

Berna Doğan Özgün Makale

Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations

Carbon, Nisan 2022, ISSN: 0008-6223

NAYİR NADİRE, SENGUL MERT, COSTİNE ANNA, REİNKE PETRA, RAJABPOUR SİAVASH, BANSAL ANUSHKA, KOZHAKHMETOV AZİMKHAN, ROBİNSON JOSHUA, REDWİNG JOAN, VAN DUİN ADRİ

Nadire Nayir Özgün Makale

Mechanical properties of fullerene embedded silicon nanowires

ARCHIVE OF APPLIED MECHANICS, Vol. 93, Nisan 2023, s. 355-367, ISSN: 0939-1533

ERBAŞ BERKE, YARDIM SARVEN, KIRCA MESUT

Mesut Kırca Özgün Makale Silicon nanowire Fullerene Nanocomposite Mechanical properties Molecular dynamics

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

Ünal Değirmenci Özet Bildiri

Mechanical characteristics and failure behavior of puckered and buckled allotropes of antimonene nanotubes: a molecular dynamics study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, Ocak 2023, ISSN: 1463-9076

ÇETİN MURAT, KIRCA MESUT

Mesut Kırca Özgün Makale

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

Ünal Değirmenci Özgün Makale Nickel Carbon-based nanomaterials Molecular dynamics simulations Mechanical properties.

Depolymerization of actin filaments by Cucurbitacin I throughbinding G-actin

Food Science & Nutrition, Vol. 12, No. 2, Şubat 2024, s. 881-889, ISSN: 2048-7177

HACIOSMANOĞLU EBRU, ÖNSU KEMAL ALPER, SAYLAN CEMİL CAN, GÜNÇER BAŞAK, BADAY SEFER, BEKTAŞ MUHAMMET

Sefer Baday Özgün Makale actin dynamics cell migrationcucurbitacinmolecular dynamicsmolecular docking

Inhibition of pancreatic cancer via LPAR4 receptor with a de novo drug complex design using theoretical organic chemistry: Comprehensive molecular docking, molecular dynamics

Journal of Research in Pharmacy, Vol. 28, No. 4, Ocak 2024, s. 1033-1040, ISSN: 2630-6344

AĞAR SOYKAN,ARASAN YAREN,AKKURT BARBAROS,ULUKAYA ENGİN

Barbaros Akkurt Özgün Makale

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

Adem Tekin Özgün Makale

Theoretical Investigation of W(CO)6 and CO Selenization Process

Sakarya University Journal of Science, Vol. 26, No. 2, Nisan 2022, s. 283-291, ISSN: 1301-4048

NAYİR NADİRE

Nadire Nayir Özgün Makale DFTMOCVDWSe2Molecular dynamicsReaxFF

Drug Re-Positioning Studies for Novel HIV-1 Inhibitors Using Binary QSAR Models and Multi-Target-DrivenIn SilicoStudies

MOLECULAR INFORMATICS, Vol. 40, No. 2, Şubat 2021, ISSN: 1868-1743

DOĞAN BERNA, DURDAĞI SERDAR

Berna Doğan Özgün Makale HIVVirtual ScreeningMolecular DynamicsDrug Re-positioningMulti-target drugsDESIGNED DUAL INHIBITORSBINDING FREE-ENERGYREVERSE-TRANSCRIPTASEPROTONATION STATECOUMARIN DERIVATIVESMULTITARGET DRUGSPROTEASEDYNAMICSCOMBINATIONPREDICTION

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

Berna Doğan Özgün Makale RESPIRATORY SYNDROME-CORONAVIRUSFEMTOSECOND CRYSTALLOGRAPHYMOLECULAR-DYNAMICSACCURATE DOCKINGGLIDEMODELMECHANISMSINHIBITORSSOFTWARECOVID-19

Structural and Thermal Properties of Indium Phosphide Nanoparticles Molecular Dynamics Simulations

Journal of Computational and Theoretical Nanoscience, Vol. 12, No. 9, Eylül 2015, s. 2134-2139, ISSN: 15461955

NAYİR NADİRE,TAŞCI EMRE,ŞAKİR ERKOÇ

Nadire Nayir Özgün Makale

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