Computational studies of cation-π interactions and applications to neuroscience

The cation-π interaction is important in many contexts throughout chemistry and biology. We have been particularly focused on its role in ligand recognition in neuroscience. We will show how a combination of computation and experiment has allowed us to identify key cation-π interactions in a range of neuroreceptors. We have also shown the crucial role the cation-π interaction plays in the addictive properties of nicotine.