The statistical properties of the bilayer membranes of diparmitoylphosphatidylcholine (DPPC) in the gel and liquid-crystal phases were studied by Monte Carlo (MC) simulation using potential functions of the Lennard-Jones, the simple Coulomb, and the bond torsion. The simulation was undertaken on a t
Experimental and Monte Carlo Simulation Studies of the Thermodynamics of Polyethyleneglycol Chains Grafted to Lipid Bilayers
β Scribed by Rex, Sybille; Zuckermann, Martin J.; Lafleur, Michel; Silvius, John R.
- Book ID
- 119411587
- Publisher
- Biophysical Society
- Year
- 1998
- Tongue
- English
- Weight
- 224 KB
- Volume
- 75
- Category
- Article
- ISSN
- 0006-3495
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We describe a new equilibration procedure for the atomic level simulation of a hydrated lipid bilayer. The procedure consists of alternating molecular dynamics trajectory calculations in a constant surface tension and temperature ensemble with configurational bias Monte Carlo moves to different regi
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