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Structure preview of MDBind 4qk4

MDBind 4qk4

Open

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

MD-A005SS
Created
5 Feb 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 4

Trajectory

4,089 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
4,089
Box
7.152 x 6.993 x 6.975 nm348.86 nm³
Composition
  • Total system4,089 atoms · 245 residues
  • Protein3,950 atoms · 244 residues
  • Nucleic acids0 atoms · 0 residues
  • Lipids139 atoms · 1 residues
  • Carbohydrates0 atoms · 0 residues
  • Solvent0 atoms · 0 residues
Counter-ions
  • 0Cations (+)
  • 0Anions (-)
  • 0Total ions