Membranes


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

Name:Pseudomonas aeruginosa biofilm
Lipids: POPE, POPG, PCPG, YOPE, DPPE, PCPE, DPPG, YOPG
Forcefield: charmm36
Software:Namd 2
Files: LIM9_Pseudomonas_aeruginosa_biofilm.pdb, LIM9_Pseudomonas_aeruginosa_biofilm.txt
Parameters and other files
supplementary/
supplementary/biofilm.psf
supplementary/biofilm.pdb
supplementary/biofilm.crd
supplementary/README
Simulation files
Number:100 lipids
Temperature:303 °K
Equilibration:400 ns
Tags:plasma membrane, pseudomonas aeruginosa, inner plasma membrane, biofilm
Proteins:
Description:

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

PMSPE, PMSPG and AEPG residues have been renamed PSPE, PSPG and YOPG, respectively.

References: Yu2018 The Journal of Chemical Physics, 149. Modeling Pseudomonas aeruginosa inner plasma membrane in planktonic and biofilm modes
Composition:
Upper leaflet 1
15 POPE (Klauda2010) ( 30.0%)
7 POPG (Kang2014) ( 14.0%)
6 PCPG (Yu2018) ( 12.0%)
6 YOPE (Klauda2010) ( 12.0%)
4 DPPE (Klauda2010) ( 8.0%)
4 PCPE (Yu2018) ( 8.0%)
4 DPPG (Kang2014) ( 8.0%)
4 YOPG (Yu2018) ( 8.0%)
Lower leaflet 1
15 POPE (Klauda2010) ( 30.0%)
7 POPG (Kang2014) ( 14.0%)
6 PCPG (Yu2018) ( 12.0%)
6 YOPE (Klauda2010) ( 12.0%)
4 DPPE (Klauda2010) ( 8.0%)
4 PCPE (Yu2018) ( 8.0%)
4 DPPG (Kang2014) ( 8.0%)
4 YOPG (Yu2018) ( 8.0%)
Curator: Jean-Marc Crowet on Dec. 9, 2020

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