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Lowest energy structures for GGGG, GGGG-18C6, Ac–KGGG, and Ac-KGGG–18C6 from molecular dynamics conformational searches. The hydrogen bond distances between H and O atoms are shown for each structure. The peptide structures change significantly when 18C6 is attached. The interactions between peptide backbone and side chain are stronger for Ac-KGGG than for GGGG
