Membranes


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

Name:yeast avg
Lipids: DOPC, CHOL, POPE, DPPC, POPA, POPS
Forcefield: charmm36
Software:Namd 2
Files: LIM13_yeast_avg.pdb, LIM13_yeast_avg.txt
Parameters and other files
supplementary/
supplementary/avg-yeast.psf
supplementary/avg-yeast.xplor.psf
supplementary/README
supplementary/avg-yeast-200ns.pdb
Simulation files
Number:270 lipids
Temperature:303 °K
Equilibration:200 ns
Tags:saccharomyces cerevisiae, yeast
Proteins:
Description:

Primary source: http://terpconnect.umd.edu/~jbklauda/memb.html

CHL1 and ERG residues have been renamed CHOL and ERGO, respectively.

References: Monje-Galvan2015 Biochemistry, 54. Modeling Yeast Organelle Membranes and How Lipid Diversity Influences Bilayer Properties
Composition:
Upper leaflet 1
50 DOPC (Klauda2010) ( 37.0%)
30 CHOL (Lim2012) ( 22.2%)
30 POPE (Klauda2010) ( 22.2%)
10 DPPC (Klauda2010) ( 7.4%)
10 POPA (Klauda2010) ( 7.4%)
5 POPS (Venable2013) ( 3.7%)
Lower leaflet 1
50 DOPC (Klauda2010) ( 37.0%)
30 CHOL (Lim2012) ( 22.2%)
30 POPE (Klauda2010) ( 22.2%)
10 DPPC (Klauda2010) ( 7.4%)
10 POPA (Klauda2010) ( 7.4%)
5 POPS (Venable2013) ( 3.7%)
Curator: Jean-Marc Crowet on Dec. 9, 2020

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