Molecular dynamics simulations of lipid bilayers
β Scribed by Scott E. Feller
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 740 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1359-0294
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π SIMILAR VOLUMES
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
A dipalmitoylphosphatidylcholine (DPPC) bilayer could successfully be simulated in the Nosr-Parrinello-Rahman NPT ensemble from an arbitrarily generated crystal-like initial configuration. The initial condition dependence may be small and various artefacts, which were found in molecular dynamics cal