Trajectories for EmrE (faRM)
Authors/Creators
- 1. University of Illinois Urbana-Champaign
- 2. Sandia National Laboratory
Description
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:
mol new Apo-01.psf
mol addfile Apo-01.dcd waitfor all
For PyMol, the following is recommended:
load Apo-01.pdb
load_traj Apo-01.dcd
Files
Files
(15.5 GB)
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Additional details
Related works
- Is supplement to
- Journal article: 10.1073/pnas.1722399115 (DOI)