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Zinc coordination significantly decreases the solvation energy for large Zn2+-Aβ42 oligomers, enhancing their aggregation tendency. (A) Solvation energy of different number of peptides complexed with Zn2+ for models M1 and M3 and different number of peptides uncomplexed with Zn2+ for model M12. (B) Total energy difference and solvation energy difference between M1 and M3 for various numbers of peptides.
