scholarly journals Thermodynamics and structural properties of CaO: A molecular dynamics simulation study

2020 ◽  
Vol 152 (8) ◽  
pp. 084503 ◽  
Author(s):  
Cecilia M. S. Alvares ◽  
Guillaume Deffrennes ◽  
Alexander Pisch ◽  
Noël Jakse
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
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.

Structural Properties of Archaeal Lipid Bilayers: Small-Angle X-ray Scattering and Molecular Dynamics Simulation Study

Langmuir ◽  
2014 ◽  
Vol 30 (28) ◽  
pp. 8308-8315 ◽  
Author(s):  
Andraž Polak ◽  
Mounir Tarek ◽  
Matija Tomšič ◽  
Janez Valant ◽  
Nataša Poklar Ulrih ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Lipid Bilayers ◽  
Simulation Study ◽  
Small Angle ◽  
Dynamics Simulation ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering
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