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Ion Transport, Selectivity, and Electronic Polarization in Fluoride Channels

By Zhiheng Yue and others at
LogoUniversity of Chicago
Fluoride channels (Fluc) export toxic F- from the cytoplasm. Crystallography and mutagenesis have identified several conserved residues crucial for fluoride transport, but the permeation mechanism at the molecular level has remained elusive. Herein we have applied constant-pH molecular dynamics and free energy sampling methods to investigate fluoride permeation through a... Show more
February 11, 2022
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Ion Transport, Selectivity, and Electronic Polarization in Fluoride Channels
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