scholarly journals Solvation Free Energy of Self-Assembled Complexes: Using Molecular Dynamics to Understand the Separation of ssDNA-Wrapped Single-Walled Carbon Nanotubes

2020 ◽  
Vol 124 (24) ◽  
pp. 13127-13140
Author(s):  
Kevin R. Hinkle ◽  
Frederick R. Phelan
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Free Energy ◽  
Single Walled Carbon Nanotubes ◽  
Solvation Free Energy ◽  
Single Walled Carbon ◽  
Assembled Complexes ◽  
Self Assembled ◽  
Walled Carbon Nanotubes

Adsorption of collagen onto single walled carbon nanotubes: a molecular dynamics investigation

2011 ◽  
Vol 13 (28) ◽  
pp. 13046 ◽  
Author(s):  
Ravimohan Gopalakrishnan ◽  
Kanagasabai Balamurugan ◽  
Ettayapuram Ramaprasad Azhagiya Singam ◽  
Subramanian Sundaraman ◽  
Venkatesan Subramanian
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Understanding enzymatic degradation of single-walled carbon nanotubes triggered by functionalization using molecular dynamics simulation

2017 ◽  
Vol 4 (3) ◽  
pp. 720-727 ◽  
Author(s):  
Ming Chen ◽  
Guangming Zeng ◽  
Piao Xu ◽  
Yi Zhang ◽  
Danni Jiang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Horseradish Peroxidase ◽  
Enzymatic Degradation ◽  
Single Walled Carbon Nanotubes ◽  
Dynamics Simulation ◽  
Single Walled Carbon ◽  
Degrading Enzymes ◽  
Walled Carbon Nanotubes

Interactions of SWCNTs with their degrading enzymes (horseradish peroxidase and lactoperoxidase) during biodegradation.

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