L. Catacuzzeno

Building predictive Markov State Models of ion channel permeation from Molecular Dynamics

The paper develops a method to build predictive Markov State Models (MSMs) of ion channel permeation using MD simulations, enabling accurate prediction of ion currents through the KcsA channel.

Multi-scale modeling shows that dielectric differences make NaV channels faster than KV channels

The paper uses multi-scale modeling to show that threonine in NaV channels produces stronger dielectric polarization than isoleucine in KV channels, explaining faster activation kinetics.

Gating current noise produced by Brownian models of a voltage sensor

The paper models voltage sensor movement using a Brownian model to explain gating current fluctuations and charge movement in ion channels.