Conduction in Ion Channels

macro.3Selectivity is a fascinating property of ion channels and can be attributed to the unique attributes of their selectivity filters. We use a combination of sophisticated simulation schemes (classical and QM/MM molecular dynamics simulation, free energy methods…) to investigate conduction in different channels.

L. Stock, L. Delemotte, V. Carnevale, W. Treptow and M. L. Klein, J. Phys. Chem. B117, 3782-3789 (2013)

S C van Keulen, E Gianti, V Carnevale, ML Klein, U Rothlisberger and L Delemotte, J. Phys. Chem. B, DOI: 10.1021/acs.jpcb.6b08339