RESIDENCE TIMES AND LATERAL DIFFUSION OF WATER AT PROTEIN SURFACES - APPLICATION TO BPTI

In a recent paper (J. Phys. Chem. 1993, 97, 11339) the transversal diffusion of water moving away from a protein surface was considered. Here lateral diffusion of water along the protein has been studied. Residue and atom specific residence times of water molecules at the protein surface are analyzed. The largest rates of water molecules leaving the protein surface layer can be found at charged residues. Simultaneously, there are often water molecules which stick to the charged atoms. However, in relation to the surface-covered area water molecules are most likely leaving the protein surface at hydrophobic residues.