Rodríguez Villar, JéssicaBattistini, FedericaLearte Aymamí, SorayaOrozco López, ModestoMascareñas Cid, José Luis2023-07-052023-07-052023RSC Chem. Biol., 2023, 4, 486http://hdl.handle.net/10347/30838We report the modelling of the DNA complex of an artificial miniprotein composed of two zinc finger modules and an AT-hook linking peptide. The computational study provides for the first time a structural view of these types of complexes, dissecting interactions that are key to modulate their stability. The relevance of these interactions was validated experimentally. These results confirm the potential of this type of computational approach for studying peptide–DNA complexes and suggest that they could be very useful for the rational design of non-natural, DNA binding miniproteinseng© The Royal Society of Chemistry 2023. This article is licensed under a Creative Commons Attribution-NonComercial 3.0 Unported LicenceAtribución-NoComercial 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc/4.0/journal article10.1039/D3CB00053B2633-0679open access