MDRepo
/
Communities
My depositions
New Deposition
EN
Log in
replica_2 | MD simulations of DNMT1 and its disease-associated mutations - V590F | MDRepo
Records
MD simulations of DNMT1 and its disease-associated mutations - V590F
Experiments
replica_2
Overview
MD-A007KY
MD simulations of DNMT1 and its disease-associated mutations - V590F
Back to record
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
16.695 nm
Y
9.865 nm
Z
11.942 nm
Box volume
1,966.85 nm³
System Composition
Total system
19,680
atoms
1,256
residues
Protein
19,625
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