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Trajectories for EmrE (faRM)

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Zenodo2022-04-12 更新2026-05-26 收录
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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: <pre><code>mol new Apo-01.psf mol addfile Apo-01.dcd waitfor all</code></pre> For PyMol, the following is recommended: <pre><code>load Apo-01.pdb load_traj Apo-01.dcd</code></pre>

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Zenodo
创建时间:
2022-04-12
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