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Structure preview of MDBind 4ue1

MDBind 4ue1

Open

Pierre-yves Libouban;Pascal Bonnet;Samia Aci-Sèche;

MD-A007JT
Created
10 Jun 2026
License
This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)
  • Overview
  • Experiments 10
  • People & affiliations 3

Runs

10
  • 1replica 110 ns
  • 2replica 210 ns
  • 3replica 310 ns
  • 4replica 410 ns
  • 5replica 510 ns
  • 6replica 610 ns
  • 7replica 710 ns
  • 8replica 810 ns
  • 9replica 910 ns
  • 10replica 1010 ns

replica 3

Trajectory

1,797 atomsFull system

Length
10 ns @ 2 fs
Frames
50 / 200 ps
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Analysis

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Parameters

Length
10 ns@ 2 fs = 5,000,000 steps
Frames
501 frame every 200 ps
Force field
Amber ff14SB, GAFFwater model TIP3P
Atoms
1,797
Box
5.918 x 6.188 x 5.669 nm207.59 nm³
Composition
  • Total system1,797 atoms · 97 residues
  • Protein1,593 atoms · 96 residues
  • Nucleic acids0 atoms · 0 residues
  • Lipids204 atoms · 1 residues
  • Carbohydrates0 atoms · 0 residues
  • Solvent0 atoms · 0 residues
Counter-ions
  • 0Cations (+)
  • 0Anions (-)
  • 0Total ions