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. 2020 Oct 14;199:105865. doi: 10.1016/j.clay.2020.105865

Fig. 6.

Fig. 6

Fig. 6

Fig. 6

Fig. 6

Fig. 6

(a) A snapshot of a 0.7 ns MD simulation of the adsorption complex of protein with 2400 water molecules on kaolinite aluminol surface; (b) RDF profile integrated from 0.7 ns MD sampling between the protein C atoms and H atoms of kaolinite aluminol surface; (c) snapshot of a long 10 ns MD simulation; (d) RDF profile integrated from 10 ns MD sampling of water O atoms and surface H aluminol atoms; (e) RDF profile integrated from 10 ns MD sampling of protein carbonyl O atoms and surface H aluminol atoms; (f) concentration profiles along the 001 direction integrated from 10 ns MD sampling.