Molecular Dynamics Simulation of Structure II Clathrate Hydrates of Xenon and Large Hydrocarbon Guest Molecules

2011 ◽  
Vol 22 (1) ◽  
pp. 11-30 ◽  
Author(s):  
H. Erfan Niya ◽  
H. Modarress ◽  
E. Zaminpayma
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.

Sign in / Sign up

Export Citation Format

Share Document