Trajectory 774

Order parameters quality = N/A

Computational methods Simulation metadata
System (innerleaflet,76CHOL,30POPC,52POPE,26POPS,6SAPI24)(outerleaflet,76CHOL,52POPC,6POPE,2POPS,57PSM),13495SOL,52SOD
Author(s) Reza Talandashti and Nathalie Reuter
Date 27/09/2023
DOI 10.5281/zenodo.8369348
Publication N/A
Force field CHARMM36m
Simulation length (ps) 200000.00059628
Trajectory size 1967488276
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 81972
Software NAMD
Ions SOD(52)
Water TIP3
Lipids - L1 POPC:POPE:POPS:SM16:CHOL (52:6:2:57:76)
Lipids - L2 POPC:POPE:POPS:SAPI24:SM16:CHOL (30:52:26:6:2:76)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


CHOL
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SAPI24
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SM16
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters CHOL

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Group tail

Order Parameters POPE

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPS

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SAPI24

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SM16

Download JSON main

Group fa

Group headgroup

Group sphingosine

Area per lipid

Form Factor

Experimental and Molecular Dynamics based descriptors

Quality of Order Parameters : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.9 nm
Area per lipid : 43.3 Å2