Trajectory 778

Order parameters quality = N/A

Computational methods Simulation metadata
System TLCL:POPC(20%)50mM-CHARMM
Author(s) Alexey Nesterenko and Daria Khomich
Date 04/10/2023
DOI 10.5281/zenodo.8383558
Publication 10.1016/j.bioelechem.2021.107828
Force field CHARMM36
Simulation length (ps) 373300
Trajectory size 10183205904
Pre-equilibration time 20
Time left out 100
Temperature (K) 300
Number of particles 56826
Software gromacs
Ions CLA(14), POT(38)
Water TIP3
Lipids - L1 POPC:TLCL_0H (44:6)
Lipids - L2 POPC:TLCL_0H (44:6)
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


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
TLCL_0H
  • 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 POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters TLCL_0H

Download JSON main

Group sn-1 1

Group sn-1 2

Group sn-2 1

Group sn-2 2

Group headgroup

Group glycerol backbone 1

Group glycerol backbone 2

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 : 4.3 nm
Area per lipid : 71.8 Å2