Comment on 'diffusion of water and sodium counter-ions in nanopores of a beta-lactoglobulin crystal: a molecular dynamics study'

摘要

Malek et al (2005 Nanotechnology 16 S522) studied the diffusion of water and sodium counter-ions in a beta-lactoglobulin (beta LG) crystal from a 5 ns molecular dynamics simulation. They presented water density in the main pore, and water mobility in the core and surface zones. Unfortunately, their results were incorrect and misleading. In this comment, we provide the results from our analysis for the same system.