Interaction between a Functionalized Single-Walled Carbon Nanotube and the YAP65WW Protein Domain: a Molecular Dynamics Simulation Study

Simulation Study ◽

Protein Domain ◽

Dynamics Simulation ◽

Molecular dynamics simulation study of the effect of single-walled carbon nanotube on the enantioseparation ability of a chiral ionic liquid

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.112769 ◽

2020 ◽

Vol 304 ◽

pp. 112769 ◽

Cited By ~ 3

Author(s):

Tahereh Sedghamiz ◽

Maryam Bahrami

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Carbon Nanotube ◽

Simulation Study ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Chiral Ionic Liquid

Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1611474 ◽

2019 ◽

Vol 38 (5) ◽

pp. 1488-1498 ◽

Cited By ~ 10

Author(s):

Majid Pakdel ◽

Heidar Raissi ◽

Mahnaz Shahabi

Keyword(s):

Drug Delivery ◽

Molecular Dynamics ◽

Carbon Nanotube ◽

Cell Membrane ◽

Simulation Study ◽

Dynamics Simulation ◽

Molecular Interactions in the Systems Composed of Curcumin, Water and Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2015.3988 ◽

2015 ◽

Vol 12 (9) ◽

pp. 2077-2083 ◽

Cited By ~ 3

Author(s):

Masoumeh Ighaei Bonab ◽

Jaber Jahhanbin Sardroodi ◽

Alireza Rastkar Ebrahimzadeh ◽

Faramarz Mehrnejad

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Interactions ◽

Simulation Study ◽

Dynamics Simulation ◽

Adsorption Mechanism and Collapse Propensities of the Full-Length, Monomeric Aβ1-42 on the Surface of a Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study

Biophysical Journal ◽

10.1016/j.bpj.2012.03.036 ◽

2012 ◽

Vol 102 (8) ◽

pp. 1889-1896 ◽

Cited By ~ 43

Author(s):

Asis K. Jana ◽

Neelanjana Sengupta

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Simulation Study ◽

Adsorption Mechanism ◽

Full Length ◽

Dynamics Simulation ◽

Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp106177n ◽

2010 ◽

Vol 114 (44) ◽

pp. 14048-14058 ◽

Cited By ~ 43

Author(s):

K. Balamurugan ◽

R. Gopalakrishnan ◽

S. Sundar Raman ◽

V. Subramanian

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulation ◽

Helical Peptides ◽

Single Walled Carbon ◽

Classical Molecular Dynamics

Molecular dynamics simulation of non-covalent single-walled carbon nanotube functionalization with surfactant peptides

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2016.01.003 ◽

2016 ◽

Vol 64 ◽

pp. 75-84 ◽

Cited By ~ 18

Author(s):

Abolfazl Barzegar ◽

Alireza Mansouri ◽

Jafar Azamat

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulation ◽

Pristine Study of Axial Tensile Strain Energy Curve for Single-Walled Carbon Nanotube using Molecular Dynamics Simulation

Indian Journal of Science and Technology ◽

10.17485/ijst/2016/v9i28/97775 ◽

2016 ◽

Vol 9 (28) ◽

Author(s):

Ai-Ping Tan ◽

Su-Hoe Yeak ◽

Riadh Sahnoun

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Strain Energy ◽

Tensile Strain ◽

Dynamics Simulation ◽

Energy Curve ◽

Single Walled Carbon ◽

Axial Tensile

Nanomechanics of single walled carbon nanotube with water interactions under axial tension by using molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2013.06.013 ◽

2013 ◽

Vol 79 ◽

pp. 519-526 ◽

Cited By ~ 31

Author(s):

V. Vijayaraghavan ◽

C.H. Wong

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Axial Tension

A molecular dynamics simulation of air adsorption in single-walled carbon nanotube bundles

International Journal of Quantum Chemistry ◽

10.1002/qua.21590 ◽

2008 ◽

Vol 108 (10) ◽

pp. 1714-1720 ◽

Cited By ~ 20

Author(s):

Víctor Rojas Cervellera ◽

Margarita Albertí ◽

Fermín Huarte-larrañaga

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Nanotube Bundles

Molecular-dynamics simulation of polyimide matrix pre-crystallization near the surface of a single-walled carbon nanotube

RSC Advances ◽

10.1039/c3ra45010d ◽

2014 ◽

Vol 4 (2) ◽

pp. 830-844 ◽

Cited By ~ 40

Author(s):

Sergey V. Larin ◽

Stanislav G. Falkovich ◽

Victor M. Nazarychev ◽

Andrey A. Gurtovenko ◽

Alexey V. Lyulin ◽

...

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Polyimide Matrix