Fig. 5.

RDF profiles of the MD simulations. (a) non-bonding distances between the H-water and O-water atoms of the wet kaolinite/protein adsorption complexes; (b) protein-fragment-H atoms with the kaolinite siloxane surface O atoms; (c) the H and O atoms of the protein-fragment for all orientations and surfaces; (d) protein-fragment H atoms with water O atoms for all orientations; (e) O atoms of the protein-fragment with water H atoms in the complex adsorbed on the kaolinite siloxane surface; (f) O atoms of the prot-fragment-B with water H atoms on the kaolinite aluminol surface; (g) water O atoms with H atoms of the kaolinite aluminol surface; and (h) water H atoms with O atoms of the kaolinite siloxane surface.