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Molecular dynamics analyses of CLDN15 pore size and charge selectivity.

Sarah McGuinnessPan LiYe LiShadi FuladiSukanya KonarSamaneh SajjadiMohammed SidahmedYueying LiLe ShenFatemeh Khalili AraghiChristopher R Weber
Published in: bioRxiv : the preprint server for biology (2023)
Using cell culture and molecular dynamics simulations, we have clarified the role of amino acid D55 in the claudin-15 channel function. D55 is important for channel permeability and selectivity in both charge- and size-selective manners. This insight into the structural determinant of claudin cation channel function provides potential insight for designing approaches to alter the claudin channel function to benefit human health.
Keyphrases
  • human health
  • molecular dynamics
  • molecular dynamics simulations
  • risk assessment
  • amino acid
  • density functional theory
  • climate change
  • endothelial cells
  • solar cells