Efficacy of external tetraethylammonium block of the KcsA potassium channel: Molecular and Brownian dynamics studies
Blockade of the KcsA potassium channel by externally applied tetraethylammonium is investigated using molecular dynamics calculations and Brownian dynamics simulations. In KcsA, the aromatic rings of four tyrosine residues located just external to the selectivity filter create an attractive energy well or a binding cage for a tetraethylammonium molecule. We first investigate the effects of re-orienting the four tyrosine residues such that the centers of the aromatic rings face the...[Show more]
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|Source:||Biochimica et Biophysica Acta: Biomembranes|
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