Membranes


N.B.: If you use the following files in your work, please cite the primary source. (see Description field)

Name:plant ternary sito and glucer
Lipids: DIPC, SITO, SPGC
Forcefield: gromos43a1-S3
Software:Gromacs 4.5
Files: LIM20_plant_ternary_sito_and_glucer.gro, LIM20_plant_ternary_sito_and_glucer.txt
Simulation files
Number:512 lipids
Temperature:303 °K
Equilibration:200 ns
Tags:plasma membrane, plant
Proteins:
Description:

Primary source:
https://research.engineering.ucdavis.edu/multiscale/downloads/

DUPC, KOMS, SGML lipids have been renamed DIPC, SITO and SPGC.

References: Emami2017 Chemistry and Physics of Lipids, 203. Molecular dynamics simulations of ternary lipid bilayers containing plant sterol and glucosylceramide
Composition:
Upper leaflet 1
116 DIPC (Emami2017) ( 45.3%)
116 SITO (Emami2017) ( 45.3%)
24 SPGC (Emami2017) ( 9.4%)
Lower leaflet 1
116 DIPC (Emami2017) ( 45.3%)
116 SITO (Emami2017) ( 45.3%)
24 SPGC (Emami2017) ( 9.4%)
Curator: Jean-Marc Crowet on April 26, 2020

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