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r_1/pH_12.00_r_1 | Constant pH MD of small HER2-siRNA LNP at pH 12 (processed, without solvent) | MDRepo
Records
Constant pH MD of small HER2-siRNA LNP at pH 12 (processed, without solvent)
Experiments
r_1/pH_12.00_r_1
Overview
MD-A00C75
Constant pH MD of small HER2-siRNA LNP at pH 12 (processed, without solvent)
Back to record
Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM36
Water model
TIP3P
Simulation Parameters
Frames
78
Frequency
N/A
Simulation length
N/A
Timestep
2 fs
Temperature
300 K
Ensemble
NPT
Simulation Box
Box type
cubic
X
159.985 nm
Y
159.985 nm
Z
159.985 nm
Box volume
4,094,848.01 nm³
System Composition
Total system
66,590
atoms
618
residues
Protein
0
atoms
0
residues
Nucleic acids
638
atoms
20
residues
Lipids
25,392
atoms
288
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues