Molecular dynamics simulation of interlayer water embedded in phospholipid bilayer

2014 ◽  
Vol 36 ◽  
pp. 49-56 ◽  
Author(s):  
Won Bae Han ◽  
Suk Jun Kim ◽  
Hyeun Hwan An ◽  
Hee-Soo Kim ◽  
Yongdeok Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Phospholipid Bilayer ◽  
Dynamics Simulation ◽  
Interlayer Water

scholarly journals Effects of a Carane Derivative Local Anesthetic on a Phospholipid Bilayer Studied by Molecular Dynamics Simulation

2003 ◽  
Vol 85 (2) ◽  
pp. 1248-1258 ◽  
Author(s):  
M. Pasenkiewicz-Gierula ◽  
T. Róg ◽  
J. Grochowski ◽  
P. Serda ◽  
R. Czarnecki ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Local Anesthetic ◽  
Phospholipid Bilayer ◽  
Dynamics Simulation

Molecular dynamics simulation of a hydrated phospholipid bilayer

1994 ◽  
Vol 344 (1309) ◽  
pp. 239-260 ◽  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Complex Systems ◽  
Phospholipid Bilayer ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Hydrocarbon Chains ◽  
Membrane Bound ◽  
Simulation Results ◽  
Well Data

A hydrated bilayer of the phospholipid 1,2-dimyristoyl-sn-glycero-3-phosphorylcholine (DMPC) has been studied in the course of a molecular dynamics simulation. Comparison of the simulation results with experiment indicates that generally the two agree well. Data are presented concerning all the major system regions, including the hydrocarbon chains, the glycerol region, the lipid headgroups and the hydrating water molecules. The simulations suggest that this model can be extended to the study of more complex systems of greater biochemical interest, such as membrane bound proteins.

κ-Opioid Receptor Model in a Phospholipid Bilayer:  Molecular Dynamics Simulation

2002 ◽  
Vol 45 (22) ◽  
pp. 4838-4846 ◽  
Author(s):  
Manuela Iadanza ◽  
Monika Höltje ◽  
Giuseppe Ronsisvalle ◽  
Hans-Dieter Höltje
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Opioid Receptor ◽  
Phospholipid Bilayer ◽  
Dynamics Simulation ◽  
Receptor Model
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