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Peer-Reviewed Publication
Drug Discov Today2026;31(2):104612.March 1, 2026Journal Article

Peptide cheminformatics tools: making computational tasks accessible in peptide drug discovery.

Vanessa Erckes1, Massina Abderrahmane2, Maud Jusot2, Christian Steuer3, Rodrigo Ochoa4
1ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zurich, Switzerland.
2Iktos, 65 rue de Prony, 75017 Paris, France.
3ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zurich, Switzerland. Electronic address: christian.steuer@pharma.ethz.ch.
4Novo Nordisk A/S, Novo Nordisk Park, DK-2760 Måløv, Denmark. Electronic address: raoc@novonordisk.com.
PubMed DOI

Abstract

Peptides are versatile molecules with a growing relevance in addressing previously untreatable and complex diseases and targets. Computational methods offer powerful strategies to streamline peptide drug discovery by accelerating design-test cycles and guiding efforts toward promising candidates. The application of such tools requires specialized knowledge in informatics, programming, and statisti…

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