Trajectory 776

Order parameters quality = N/A

Computational methods Simulation metadata
System 12CHOL,134POPC,60POPE,14POPS,26POPI,10CER180,10551SOL,40SOD
Author(s) Reza Talandashti and Nathalie Reuter
Date 27/09/2023
DOI 10.5281/zenodo.8369427
Publication N/A
Force field CHARMM36m
Simulation length (ps) 200000.00059628
Trajectory size 1547848276
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 64487
Software NAMD
Ions SOD(40)
Water TIP3
Lipids - L1 POPC:POPE:POPS:POPI:CER180:CHOL (67:30:7:13:5:6)
Lipids - L2 POPC:POPE:POPS:POPI:CER180:CHOL (67:30:7:13:5:6)
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
POPI
  • 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
POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
CER180
  • 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 POPI

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPS

Download JSON main

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 CER180

Download JSON main

Group sn-1

Group sn-2

Group backbone

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 : 4.5 nm
Area per lipid : 58.5 Å2