Molecular dynamics simulation of structure H clathrate-hydrates of binary guest molecules

2011 ◽  
Vol 20 (6) ◽  
pp. 577-584 ◽  
Author(s):  
Hamid Erfan-Niya ◽  
Hamid Modarress
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Clathrate Hydrates ◽  
Dynamics Simulation ◽  
Guest Molecules

Molecular dynamics simulation study of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound

2000 ◽  
Vol 261 (1-2) ◽  
pp. 125-135 ◽  
Author(s):  
Jean-Christophe Soetens ◽  
Arnaud Desmedt ◽  
François Guillaume ◽  
Kenneth D.M. Harris
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Inclusion Compound ◽  
Dynamics Simulation ◽  
Guest Molecules

Molecular dynamics simulation studies of hyperbranched polyglycerols and their encapsulation behaviors of small drug molecules

2016 ◽  
Vol 18 (32) ◽  
pp. 22446-22457 ◽  
Author(s):  
Chunyang Yu ◽  
Li Ma ◽  
Ke Li ◽  
Shanlong Li ◽  
Yannan Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Guest Molecules ◽  
Drug Molecules

Computer simulation could disclose more details about the conformations of HPGs and their encapsulation behaviors of guest molecules.

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