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replica_3 | MD simulations of DNMT1 and its disease-associated mutations - A554V | MDRepo
Records
MD simulations of DNMT1 and its disease-associated mutations - A554V
Experiments
replica_3
Overview
MD-A007KW
MD simulations of DNMT1 and its disease-associated mutations - A554V
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
ff19SB
GAFF
Water model
OPC
Simulation Parameters
Frames
25,001
Frequency
100 ps
Simulation length
2,500.1 ns
Timestep
2 fs
Temperature
310 K
Ensemble
NPT
Simulation Box
Box type
orthorhombic triclinic
X
16.721 nm
Y
9.924 nm
Z
11.911 nm
Box volume
1,976.30 nm³
System Composition
Total system
19,682
atoms
1,256
residues
Protein
19,627
atoms
1,250
residues
Nucleic acids
0
atoms
0
residues
Lipids
0
atoms
0
residues
Carbohydrates
50
atoms
1
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues