Daria and Ioana have published a Highlight in ChemComm titled Unlocking novel therapies: cyclic peptide design for amyloidogenic targets through synergies of experiments, simulations, and machine learning. From a computational perspecrive, they review the latest advancements in cyclic peptide design against amyloidogenic targets in light of recent advancements and potential of machine learning. They discuss the challenges associated with designing new peptide-based inhibitors and propose new strategies integrating experiments, simulations and machine learning to design cyclic peptides to inhibit the propagation of amyloidogenic polypeptides. These approaches go beyond cyclic peptides and hold general promise for de novo generation of (bio)materials.

The article is part of the ChemComm Milestones – First Independent Articles and 2023 Emerging Investigators collections. Ioana has been interviewed for the former. You can check the interview here.