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

University of Johannesburg
Eastern Mediterranean University

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

38 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

UN SDGs

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

SDG 3 Good Health and Well-being

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

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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

UR - https://www.scopus.com/pages/publications/85091255958

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

UN SDGs

Keywords

ASJC Scopus subject areas

Access to Document

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Cite this