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Simulation Data for: Molecular prosthetics for CFTR designed for anion selectivity outperform amphotericin B in cultured cystic fibrosis airway epithelia

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Zenodo2026-06-18 更新2026-06-21 收录
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MD Simulation Data: Starting and final coordinates (GRO file format), GROMACS topology (.top/.itp), parameter files (.prm), CGenFF outputs, .mdp files for minimization, NPT equilibration and production. Accompanying Marin-Toledo et al (preprint, 2025)

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2026-06-18
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