Vahid Fadaei Naeini - School of Mechanical Engineering, College of Engineering, University of Tehran, Tehran, Iran
Majid Baniassadi - School of Mechanical Engineering, College of Engineering, University of Tehran, Tehran, Iran
Masumeh Foroutan - Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran

In this study, the permeation process of oppositely charged ions through mechanosensitive channels oflarge conductance is investigated using the steered molecular dynamics (SMD) simulation. The results suggest that themechanism of interaction between the ion and the key residues of the channel can vary according to the ion charge.Since some of the mentioned amino acids exist in the interior pore of the other membrane proteins, studying themechanism of interaction of these basic components with different substrates and their role in the gating process of theutmost importance. It was mentioned that Val21 sidechains interact with the ion as a selective filter in transmembranedomain.

Ion Permeation; Mechanosensitive Channels of Large Conductance; Molecular Dynamics Simulation