Molecular dynamics simulation study of curcumin interaction with nano-micelle of PNIPAAm-b-PEG co-polymer as a smart efficient drug delivery system

2021 ◽  
Vol 332 ◽  
pp. 115862
Author(s):  
Morteza Rezaeisadat ◽  
Abdol-Khalegh Bordbar ◽  
Reza Omidyan
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Drug Delivery System ◽  
Delivery System ◽  
Simulation Study ◽  
Dynamics Simulation

A coarse grained molecular dynamics simulation study on the structural properties of carbon nanotube–dendrimer composites

Soft Matter ◽  
2018 ◽  
Vol 14 (16) ◽  
pp. 3151-3163 ◽  
Author(s):  
Sajjad Kavyani ◽  
Mitra Dadvar ◽  
Hamid Modarress ◽  
Sepideh Amjad-Iranagh
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Hydrophobic Properties ◽  
Coarse Grained Molecular Dynamics

By coarse grained molecular dynamics, the effect of the size and hydrophilic/hydrophobic properties of the interior/exterior structures of the dendrimers in carbon nanotube–dendrimer composites has been studied, to find a stable composite with the capability to be used in drug delivery.

Molecular dynamics simulation study of boron-nitride nanotubes as a drug carrier: from encapsulation to releasing

RSC Advances ◽  
2016 ◽  
Vol 6 (11) ◽  
pp. 9344-9351 ◽  
Author(s):  
Sara Roosta ◽  
Sousa Javan Nikkhah ◽  
Mehdi Sabzali ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Simulation Study ◽  
Drug Carrier ◽  
Boron Nitride Nanotubes ◽  
Dynamics Simulation ◽  
Drug Molecules ◽  
Release Processes

Understanding the encapsulation and release processes of drug molecules using nanocarriers is vital for the development of nanoscale drug delivery.

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