Skip to main content
zenodoopen

Trajectories for EmrE (faRM)

<p>These are the molecular dynamics trajectories for a refined EmrE model, as described by Vermaas et al. 2016. There are 25 trajectories total, each with 1001 frames. 5 trajectories are for the doubly deprotonated (apo) state, 5 have a proton on the &quot;A&quot; monomer (PA), 5 on the &quot;B&quot; monomer (PB), 5 are protonated on both glutamate residues (Protonated), and 5 are doubly deprotonated states with TPP+ bound. To load a trajectory in VMD, one might do the following:</p> <pre><code>mol new Apo-01.psf mol addfile Apo-01.dcd waitfor all</code></pre> <p>For PyMol, the following is recommended:</p> <pre><code>load Apo-01.pdb load_traj Apo-01.dcd</code></pre> <p>&nbsp;</p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
4