Effects of ions on winter flounder antifreeze protein and water molecules near an ice/water interface

Abstract

We have carried out molecular dynamics analysis on an aqueous solution of winter flounder antifreeze protein (AFP), sodium ions and chloride ions near ice surfaces to understand the effect of ions on water and protein. It is found from the statistical quantities that the translational motion and freely rotational motion of water molecules near the ions are restricted. The interaction between the AFP and water molecules, which are hydrated with the ions, is attenuated. When the ion concentration near a part of the protein and the ice surface is higher than the average, the part of the protein approaches the ice surface.