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Design of stapled peptides. (A) Illustration of a hydrocarbon staple (Top); a stable EmrE-stapled peptide complex stapled at positions M92–L99 (Bottom). (B) Profiles of the free energy as a function of monomer–peptide displacement. (C) Monomer–peptide interaction of vdW energy (blue) computed using the Generalized Born membrane model (37) and monomer–peptide interaction of free energy (red); the correlation coefficient between the interaction energy and the free energy is 0.74.
