Principal Investigator

Serdar   Kuyucak Theoretical Physics, RSPS&E, ANU

Project Title

Brownian dynamics modeling of inward rectifier potassium channels

Brief Description for General Publications

Understanding the structure-function relationships in ion channels is a fundamental problem in biophysics and neurology. Lack of structural information has hindered progress until recently. Determination of the crystal structure of the bacterial KcsA potassium channel in 1998 has finally broken this impasse, allowing realistic modeling of ion channels. Despite ongoing efforts, structures of other potassium channels, that are of direct importance in functioning of humans and animals, have not been resolved so far. In this project, we propose to construct a model for the inward rectifier potassium channels starting from the known structure of KcsA. Various experimental data on inward rectifiers will be used in modifying the KcsA structure such that the conductance properties of the new structure (calculated from Brownian dynamics simulations) match the observed properties of the inward rectifiers.