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Structure preview of MDBind 1hge 1

MDBind 1hge 1

Open

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

MD-A0078R
Created
16 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 15.6 ns
  • 2replica 25.8 ns
  • 3replica 35.6 ns
  • 4replica 45.8 ns
  • 5replica 55.8 ns
  • 6replica 65.8 ns
  • 7replica 75.8 ns
  • 8replica 85.8 ns
  • 9replica 95.6 ns
  • 10replica 105.8 ns

replica 9

Trajectory

23,421 atomsFull system

Length
5.6 ns @ 2 fs
Frames
28 / 200 ps
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Analysis

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Parameters

Length
5.6 ns@ 2 fs = 2,800,000 steps
Frames
281 frame every 200 ps
Force field
Amber ff14SB, GAFFwater model TIP3P
Atoms
23,421
Box
13.517 x 15.178 x 9.743 nm1,998.86 nm³
Composition
  • Total system23,421 atoms · 1,510 residues
  • Protein23,379 atoms · 1,509 residues
  • Nucleic acids0 atoms · 0 residues
  • Lipids0 atoms · 0 residues
  • Carbohydrates42 atoms · 1 residues
  • Solvent0 atoms · 0 residues
Counter-ions
  • 0Cations (+)
  • 0Anions (-)
  • 0Total ions