title: Shock Wave-Induced Damage of a Protein by Void Collapse.
abstract: In this study, we report on a series of molecular dynamics simulations that were used to examine the effects of shock waves on a membrane-bound ion channel. A planar shock wave was found to compress the ion channel upon impact, but the protein geometry resembles the crystal structure as soon as the solvent density begins to dissipate. When a void was placed in close proximity to the membrane, the shock wave proved to be more destructive to the protein due to formation of a nanojet that results from the asymmetric collapse of the void. The nanojet was able to cause significant structural changes to the protein even at low piston velocities that are not able to directly cause poration of the membrane.
authors.affiliation: Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California. Electronic address: lau12@llnl.gov.
authors.forename: Edmond Y
authors.initials: EY
authors.lastname: Lau
authors.affiliation: Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina.
authors.forename: Max L
authors.initials: ML
authors.lastname: Berkowitz
authors.affiliation: Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California.
authors.forename: Eric
authors.initials: E
authors.lastname: Schwegler
mesh_terms: D002462:Cell Membrane / Q000378:metabolism*; D051663:Kv1.2 Potassium Channel / Q000737:chemistry / Q000378:metabolism*; D056004:Molecular Dynamics Simulation; D017434:Protein Structure, Tertiary; D013016:Sound / Q000009:adverse effects*
chemical_list: D051663:Kv1.2 Potassium Channel