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Pairwise residue decomposition of the binding energies of the S100B(ββ)-peptide complexes. The pairwise residue contributions were calculated with the MMPBSA approach (see Methods) using the conformations sampled during the MD simulations. Residue pairs that contribute favourably (green: 1 to 2.5 kcal/mol; red > 2.5 kcal/mol) to the interactions are highlighted.
