Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes

Anticancer Drugs ◽

Dynamics Simulation ◽

Adsorption of uranyl ions from its aqueous solution by functionalized carbon nanotubes: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111569 ◽

2019 ◽

Vol 294 ◽

pp. 111569 ◽

Cited By ~ 2

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Aqueous Solution ◽

Simulation Study ◽

Dynamics Simulation ◽

Uranyl Ions ◽

Molecular Dynamics Simulation Study of the Structural Characteristics of Water Molecules Confined in Functionalized Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp064676d ◽

2006 ◽

Vol 110 (51) ◽

pp. 25761-25768 ◽

Cited By ~ 47

Author(s):

Liang-Liang Huang ◽

Lu-Zheng Zhang ◽

Qing Shao ◽

Jun Wang ◽

Ling-Hong Lu ◽

...

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Simulation Study ◽

Structural Characteristics ◽

Dynamics Simulation ◽

Water Molecules ◽

Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study

Archives of Biochemistry and Biophysics ◽

10.1016/j.abb.2018.11.019 ◽

2019 ◽

Vol 661 ◽

pp. 178-186 ◽

Cited By ~ 11

Author(s):

Maryam Zaboli ◽

Heidar Raissi ◽

Mahdiye Zaboli ◽

Farzaneh Farzad ◽

Masoud Torkzadeh-Mahani

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Lactate Dehydrogenase ◽

Simulation Study ◽

Dynamics Simulation ◽

Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and quantum mechanics calculation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2018.12.009 ◽

2019 ◽

Vol 88 ◽

pp. 11-22 ◽

Cited By ~ 13

Author(s):

Azadeh Kordzadeh ◽

Sepideh Amjad-Iranagh ◽

Mahdi Zarif ◽

Hamid Modarress

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Quantum Mechanics ◽

Dynamics Simulation ◽

2018 40th Annual International Conference of the IEEE Engineering in Medicine and Biology Society (EMBC) ◽

Molecular Dynamics Simulation Study of Electrokinetics Transport of Aqueous Solution through Functionalized Carbon Nanotubes: A New Membrane Model for Nanopours Based Biosensors

10.1109/embc.2018.8513530 ◽

2018 ◽

Author(s):

Abbas Panahi ◽

Ebrahim Ghafar-Zadeh ◽

Sebastian Magiierowski ◽

Mohammad Hossein Sabour

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Aqueous Solution ◽

Simulation Study ◽

Dynamics Simulation ◽

Membrane Model ◽

Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs

Molecular Simulation ◽

10.1080/08927022.2019.1679363 ◽

2019 ◽

Vol 46 (2) ◽

pp. 111-120 ◽

Cited By ~ 2

Author(s):

Zahra Ghadri ◽

Heidar Raissi ◽

Mahnaz Shahabi ◽

Farzaneh Farzad

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Anticancer Drugs ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Stability analysis of endohedrally functionalized carbon nanotubes with pentagonal metallic nanowires: a molecular dynamics simulation approach

Materials Research Express ◽

10.1088/2053-1591/aafdc0 ◽

2019 ◽

Vol 6 (4) ◽

pp. 045056 ◽

Cited By ~ 4

Author(s):

S Ajori ◽

H Parsapour ◽

R Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Stability Analysis ◽

Dynamics Simulation ◽

Metallic Nanowires ◽

Simulation Approach ◽

Molecular dynamics simulation of impact behavior in multi-walled carbon nanotubes

Superlattices and Microstructures ◽

10.1016/j.spmi.2020.106447 ◽

2020 ◽

Vol 140 ◽

pp. 106447 ◽

Cited By ~ 2

Author(s):

Sajjad Seifoori ◽

Fatemeh Abbaspour ◽

Ehsan Zamani

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Dynamics Simulation ◽

Impact Behavior ◽

Multi Walled Carbon Nanotubes ◽

Walled Carbon Nanotubes

2011 12th Intl. Conf. on Thermal, Mechanical & Multi-Physics Simulation and Experiments in Microelectronics and Microsystems ◽

The influence of molecular dynamics simulation parameters on the accuracy of carbon nanotubes thermal conductivity calculations

10.1109/esime.2011.5765854 ◽

2011 ◽

Author(s):

Bartosz Platek ◽

Tomasz Falat ◽

Jan Felba

Keyword(s):

Thermal Conductivity ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Dynamics Simulation ◽

Simulation Parameters

Molecular dynamics simulation of heat pulse propagation in y-junction carbon nanotubes

10.1117/12.591027 ◽

2005 ◽

Author(s):

Aron Cummings ◽

Mohamed Osman ◽

Deepak Srivastava ◽

Madhu Menon

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Pulse Propagation ◽

Heat Pulse ◽

Dynamics Simulation