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1-3 On the computational side, we capitalized on our previous work, which provided solid and calibrated computational protocols based on the DFT-D3 method, for estimating stability constants of various [M 2+ :peptide/amino acid] complexes, as well as on recently developed protocols for exhaustive and efficient conformational sampling of peptides and macrocycles

Two products with identical percentages can produce vastly different outcomes based on their overall composition