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replica_4 | MD simulations of DNMT1 and its disease-associated mutations - D490E-P491Y | MDRepo
Records
MD simulations of DNMT1 and its disease-associated mutations - D490E-P491Y
Experiments
replica_4
Overview
MD-A007L3
MD simulations of DNMT1 and its disease-associated mutations - D490E-P491Y
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
ff19SB
GAFF
Water model
OPC
Simulation Parameters
Frames
25,011
Frequency
100 ps
Simulation length
2,501.1 ns
Timestep
2 fs
Temperature
310 K
Ensemble
NPT
Simulation Box
Box type
orthorhombic triclinic
X
16.702 nm
Y
9.912 nm
Z
11.897 nm
Box volume
1,969.60 nm³
System Composition
Total system
19,686
atoms
1,256
residues
Protein
19,631
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