Molecular simulations of the large conductance mechanosensitive (MscL) channel under mechanical loading

The MscL channel is a mechanosensitive channel which is gated by membrane stress or tension. Here, we describe a series of simulations which apply simulated mechanical stress to a molecular model of the MscL channel using two methods direct force application to the transmembrane segments, and anisotropic pressure coupling. In the latter simulations, pressures less than that equivalent to a bilayer tension of 12 dyn/cm did not cause the channel to open, while pressures in excess of this value resulted in the channel opening. These results are in approximate agreement with experimental findings. (C) 2002 Published by Elsevier Science B.V. on behalf of the Federation of European Biochemical Societies.