Abstract

The connexin family is a diverse group of highly regulated non-β-barrel wide-pore channels permeable to biological signaling molecules. Despite their critical roles in mediating selective molecular signaling in health and disease, the molecular basis of permeation through these pores remains unclear. In the project, we produce thermodynamics and kinetics of a second messenger adenosine-3',5'-cyclophosphate (cAMP) permeating through Connexin 26 hemichannel. Under 4 μs voltage simulation, 20 inward and outward transition events were captured, provided average transition rate and accumulated density profile of cAMP inside the pore.

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