Investigating the Conformational Heterogeneity of CCR5 by Molecular Dynamics Simulations
11th Visegrad Symposium on Biomolecular Interactions, Röjtökmuzsaj/MACARİSTAN, 20 Haziran 2023
DOĞAN BERNA,DURDAĞI SERDAR
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Molecular dynamics simulations of the dissolution of lactose crystals
Deutsche Physikalische Gesellschaft DPG Spring Meeting, Dresden/ALMANYA, 30 Mart 2014
DOĞAN BERNA,SCHNEİDER JULİAN,REUTER KARSTEN
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Tensile characteristics of boron nanotubes by using reactive molecular dynamics simulations
Elsevier BV, Vol. 209, Haziran 2022, ISSN: 0927-0256
ÇALIŞKAN ERDEM, KIRCA MESUT
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A drug repurposing study to target bacterial ribosome decoding center with molecular docking and molecular dynamics simulations
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2024
BERİL ATEŞ ULUTÜRK
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Molecular dynamics simulations on the structure and interfacial interactions of polyethylene-organoclay nanocomposites
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2011
EROL YILDIRIM
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Investigation of the misfolding pathway of different prion variants via molecular dynamics simulations
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2015
FULYA ECEM KESKİN
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Investigation of drug resistance mechanisms for antiandrogen prostate cancer drug enzalutamide using molecular dynamics simulations
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2020
BEHZAD ASLANI AVILAQ
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Determining mechanical properties of coated nanoporous Al-Cu structures by using molecular dynamics simulations
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2013
ESRA İÇER
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Molecular dynamics simulations of carbon-aluminum nanocomposites
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2017
AHMET SEMİH ERTÜRK
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In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors
JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS, Vol. 35, No. 13, 2017, s. 2830-2852, ISSN: 0739-1102
KAYİK GULRU,TÜZÜN NURCAN,DURDAĞI SERDAR
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Mechanical enhancement of an aluminum layer by graphene coating
JOURNAL OF MATERIALS RESEARCH, Vol. 33, No. 18, Eylül 2018, s. 2741-2751, ISSN: 0884-2914
ERTURK AHMET SEMİH,KIRCA MESUT,KIRKAYAK LEVENT
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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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Mechanical behavior of a novel carbon-based nanostructured aluminum material
COMPUTATIONAL MATERIALS SCIENCE, Vol. 144, No. null, 2018, s. 193-209, ISSN: 0927-0256
YILDIZ YUNUS ONUR,ERTURK AHMET SEMİH,KIRCA MESUT
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Structural properties of indium phosphide nanorods: molecular dynamics simulations
International Journal of Nanotechnology, Vol. 13, Ocak 2016, s. 809, ISSN: 1475-7435
NAYİR NADİRE,TAŞCI EMRE,ERKOÇ ŞAKİR
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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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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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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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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
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Understanding physical chemistry of Ba<sub><i>x<\/i><\/sub>Sr<sub>1−<i>x<\/i><\/sub>TiO<sub>3<\/sub> using ReaxFF molecular dynamics simulations
Physical Chemistry Chemical Physics, Vol. 23, Ekim 2021, ISSN: 1463-9076
AKBARİAN DOOMAN, NAYİR NADİRE, VAN DUİN ADRİ
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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
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