BiophysicsBiophysical JournalPeer-reviewed
Building predictive Markov State Models of ion channel permeation from Molecular Dynamics
Luigi Catacuzzeno, Maria Vittoria Leonardi, Fabio Franciolini…·Simone Furini
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.
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