title: Molecular simulations of the large conductance mechanosensitive (MscL) channel under mechanical loading.
abstract: 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.
authors.affiliation: School of Aerospace Mechanical and Mechatronic Engineering, Building J07, University of Sydney, NSW 2006, Sydney, Australia. bilston@aeromech.usyd.edu.au
authors.forename: Lynne E
authors.initials: LE
authors.lastname: Bilston
authors.forename: Kausala
authors.initials: K
authors.lastname: Mylvaganam
mesh_terms: D003198:Computer Simulation; D029968:Escherichia coli Proteins; D015640:Ion Channel Gating; D007473:Ion Channels / Q000502:physiology*; D008958:Models, Molecular; D010812:Physical Stimulation; D011487:Protein Conformation; D015398:Signal Transduction; D013500:Surface Tension
chemical_list: D029968:Escherichia coli Proteins; D007473:Ion Channels; C086596:MscL protein, E coli