Free energy calculations on the two drug binding sites in the M2 proton channel.

Abstract excerpt

Two alternative binding sites of adamantane-type drugs in the influenza A M2 channel have been suggested, one with the drug binding inside the channel pore and the other with four drug molecule S-binding to the C-terminal surface of the transmembrane domain. Recent computational and experimental studies have suggested that the pore binding site is more energetically favorable but the external surface binding site...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Antiviral Agents
• Share to Binding Sites
• Share to Drug Resistance, Viral