Using constant pH molecular dynamics (CPHMD), we are exploreing the pH-dependent proton occupation of ionizable residues in the homo-tetrameric M2 channel from Influenza virus. We will examine the nature of the channel structure and in particular the conformation of the mid-membrane histidine residues. Comparisons will be made with measured pKa values as well as the structure and symmetry of this channel as a function of pH. Connections with existing models of pH-induced channel opening/closing will be discussed.

Probing pH-dependent conformational changes in the M2 channel from Influenza virus

243rd National Meeting (2012)

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