A Heterogeneous, Purpose Built Computer Architecture for Accelerating Biomolecular Simulation

Abstract

Electropermeabilization (electroporation) occurs when a supraphysiological electric field is applied across the cell membrane, but this phenomenon is not yet accessible to direct experimental observation. Molecular dynamics simulations suggest that interfacial waters located at the water:lipid interface are key determinants of electric field-driven pore formation in phospholipid bilayers [1]. We com-