Doctor Paolo Carloni
Condensed Matter Sector
International School for Advanced Studies
Trieste, Italy

Informal

Wednesday, March 22, 2000
3:00 pm (CT)
2269 Beckman Institute

Abstract

Molecular dynamics (MD) simulations based on the structure of the KcsA channel can provide useful insights on the mechanism governing ion stability, permeation and selectivity. Here, we will present recent results from our MD investigation on potassium mobility and hydration properties of the channel. Our findings indicate that the mobility of the two K+ ions in the binding sites are dramatically affected by the presence of a third internal K+ ion and by the polarization of waters inside the channel.

Tea and coffee will be served in R3151 Beckman Institute at 2:15pm.