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 "A" monomer (PA), 5 on the "B" 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> </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