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MD simulations of DNMT1 and its disease-associated mutations - G589A
Experiments
replica_3
Overview
MD-A007KX
MD simulations of DNMT1 and its disease-associated mutations - G589A
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
ff19SB
GAFF
Water model
OPC
Simulation Parameters
Frames
25,000
Frequency
100 ps
Simulation length
2,500 ns
Timestep
2 fs
Temperature
310 K
Ensemble
NPT
Simulation Box
Box type
orthorhombic triclinic
X
16.703 nm
Y
9.869 nm
Z
11.947 nm
Box volume
1,969.45 nm³
System Composition
Total system
19,679
atoms
1,256
residues
Protein
19,624
atoms
1,250
residues
Nucleic acids
0
atoms
0
residues
Lipids
0
atoms
0
residues
Carbohydrates
50
atoms
1
residues
Solvent
0
atoms
0
residues
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0