W. Kopec

Selectivity filter mutations shift ion permeation mechanism in potassium channels

The paper uses molecular dynamics simulations to show that mutations in the selectivity filter of KcsA channels shift the ion permeation mechanism from water-free to co-permeation of K+ and water, reducing conductance and selectivity.

Periodic boundaries in Molecular Dynamics simulations: why do we need salt?

This paper investigates how periodic boundary conditions in MD simulations affect systems with uncompensated dipoles, showing that ions help mitigate unwanted artifacts caused by these dipoles.

Driving Forces underlying Selectivity Filter Gating in the MthK Potassium Channel

This study investigates selectivity filter gating in the MthK potassium channel and its V55E mutant using electrophysiology and simulations, revealing structural and functional differences compared to KcsA.