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Description: Equilibrium molecular dynamics (MD) simulations (with GROMACS) and CpHMD simulations (with CHARMM) for the proton-coupled zinc transporter YiiP. Supplementary data for the paper [Hussein 2023]. [Hussein 2023] Adel Hussein, Shujie Fan, Maria Lopez-Redondo, Ian Kenney, Xihui Zhang, Oliver Beckstein, and David L. Stokes. Energy coupling and stoichiometry of Zn2+/H+ antiport by the cation diffusion facilitator YiiP. eLife, Apr 2023. doi: https://doi.org/10.7554/elife.87167.1

License: CC-By Attribution 4.0 International

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