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The growing interest in bio-inspired materials is driven by the need for increasingly targeted and efficient devices that also have a low ecological impact. These devices often use specially developed materials (e.g., polymers, aptamers, monoclonal antibodies) capable of carrying out the process of recognizing and capturing a specific target in a similar way to biomaterials of natural origin. In this article, we present two case studies, in which the target is a biomolecule of medical interest, in particular, α-thrombin and cytokine IL-6. In these examples, different biomaterials are compared to establish, with a theoretical-computational procedure known as proteotronics, which of them has the greatest potential for use in a biodevice.