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  1. Records
  2. LNP-endosome stalk system: unbiased MD with 50% deprotonated MC3
  3. Experiments
  4. 50prcent_deproto_endoLNP_dry
  5. Overview
MD-A00C6D

LNP-endosome stalk system: unbiased MD with 50% deprotonated MC3

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  • 50prcent_deproto_endoLNP_dry
OverviewTrajectory viewerAnalyses

Force Field & Water Model

Force field
  • CHARMM36
Water modelTIP3P

Simulation Parameters

Frames
55
Frequency
N/A
Simulation length
N/A
Timestep
2 fs
Temperature
300 K
Ensemble
NPT

Simulation Box

Box type
  • cubic
X
398.471 nm
Y
398.471 nm
Z
398.471 nm
Box volume
63,268,878.52 nm³

System Composition

Total system
936,703atoms7,969residues
Protein
0atoms0residues
Nucleic acids
638atoms20residues
Lipids
898,667atoms7,651residues
Carbohydrates
0atoms0residues
Solvent
0atoms0residues

Counter-Ions

Cations (+)
0
Anions (-)
0
Total ions
0