Modeling Water and Ion Permeation Through the Claudin-2 Pore

Modeling Water and Ion Permeation Through the Claudin-2 Pore

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Using molecular dynamics simulations we have shown that this simple model predicts the behavior of claudin-2 in terms of charge selectivity and is sufficient to explain water permeation through claudin -2. Osmotic water transport and sodium ion-driven water transport have also been studied (manuscript under preparation).

Water and Ion Permeability of a Claudin Model: A Computational Study
Rozita Laghaei, Rob D. Coalson and Alan S. L. Yu
PROTEINS: Structure, Function, and Bioinformatics (accepted for publication on 29 Nov. 2015)

Modeling Paracellular Claudin-2 Channel by cysteine cross-linking
Rozita Laghaei, Rob D. Coalson, Riccardo Pellarin, A. Ε ali and Alan S.L. Yu (in preparation)