The use of peptide therapeutics to treat human diseases has rapidly advanced since recombinant insulin was first used for diabetes therapy in the early 1980s. In this talk, we describe our recent work on designing cyclic peptides to target protein-protein interactions, designing glycopeptides with desired secondary structures, and how to deliver peptide therapeutics to intracellular targets. In all these projects we apply computational chemistry methods with close collaboration with experimentalists to verify our predictions and improve our simulation methodology.

Computational design of peptide therapeutics

251st National Meeting (2016)

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