Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study

Sina Karimzadeh; Babak Safaei; Tien Chien Jen

doi:10.1016/j.jmgm.2020.107745

Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study

Sina Karimzadeh, Babak Safaei, Tien Chien Jen

Mechanical Engineering Science

Research output: Contribution to journal › Article › peer-review

34 Citations (Scopus)

Original language	English
Article number	107745
Journal	Journal of Molecular Graphics and Modelling
Volume	101
DOIs	https://doi.org/10.1016/j.jmgm.2020.107745
Publication status	Published - Dec 2020

Keywords

Carbon nanotube
Density functional theory
Doxorubicin
Drug delivery system
Molecular dynamic simulations
Natural bond orbital

ASJC Scopus subject areas

Spectroscopy
Physical and Theoretical Chemistry
Computer Graphics and Computer-Aided Design
Materials Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.jmgm.2020.107745

Cite this

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title = "Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study",

keywords = "Carbon nanotube, Density functional theory, Doxorubicin, Drug delivery system, Molecular dynamic simulations, Natural bond orbital",

author = "Sina Karimzadeh and Babak Safaei and Jen, {Tien Chien}",

year = "2020",

month = dec,

doi = "10.1016/j.jmgm.2020.107745",

language = "English",

volume = "101",

journal = "Journal of Molecular Graphics and Modelling",

issn = "1093-3263",

publisher = "Elsevier Inc.",

}

TY - JOUR

T1 - Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application

T2 - A molecular dynamic study

AU - Karimzadeh, Sina

AU - Safaei, Babak

AU - Jen, Tien Chien

PY - 2020/12

Y1 - 2020/12

KW - Carbon nanotube

KW - Density functional theory

KW - Doxorubicin

KW - Drug delivery system

KW - Molecular dynamic simulations

KW - Natural bond orbital

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U2 - 10.1016/j.jmgm.2020.107745

DO - 10.1016/j.jmgm.2020.107745

M3 - Article

C2 - 32977299

AN - SCOPUS:85091255958

SN - 1093-3263

VL - 101

JO - Journal of Molecular Graphics and Modelling

JF - Journal of Molecular Graphics and Modelling

M1 - 107745

ER -

Investigate the importance of mechanical properties of SWCNT on doxorubicin anti-cancer drug adsorption for medical application: A molecular dynamic study

Keywords

ASJC Scopus subject areas

UN SDGs

Access to Document

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Cite this