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LNP-endosome siRNA translocation: umbrella sampling with constant-pH MD, window 10.7 nm
Experiments
us_10.7
Overview
MD-A00C5R
LNP-endosome siRNA translocation: umbrella sampling with constant-pH MD, window 10.7 nm
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM36
Water model
TIP3P
Simulation Parameters
Frames
39
Frequency
N/A
Simulation length
N/A
Timestep
2 fs
Temperature
300 K
Ensemble
NPT
Simulation Box
Box type
cubic
X
398.470 nm
Y
398.470 nm
Z
398.470 nm
Box volume
63,268,406.08 nm³
System Composition
Total system
936,853
atoms
7,969
residues
Protein
0
atoms
0
residues
Nucleic acids
638
atoms
20
residues
Lipids
898,667
atoms
7,651
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
0
residues
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0