Mabesoone Lab   Data-driven Biomaterials

Research Aim

Nature achieves extraordinary material performance through precise molecular organization. While peptide-based systems offer a sustainable path to mimicking these properties, their inherent complexity makes traditional trial-and-error discovery inefficient. Our group addresses this by combining supramolecular chemistry with automated, AI-driven workflows to engineer the next generation of soft materials.

Molecular Complexity and Function

Our primary research line focuses on the fundamental principles of peptide assembly. We investigate the interfacial properties of peptide surfactants and the emergence of covalent catalysis within supramolecular frameworks. Rather than viewing peptides as static building blocks, we study how complexity arises from their interactions. This allows us to design materials that are not just passive scaffolds, but active systems capable of specific chemical functions, relevant for applications ranging from antimicrobials and drug delivery to hydrogels and responsive coatings.

AI-Augmented Experimentation

To navigate the vast sequence space of peptides, we leverage the “Big Chemistry” paradigm. As part of the Dutch Big Chemistry growth fund, we integrate robotic high-throughput experimentation with machine learning to accelerate discovery. A key focus is the use of Large Language Models (LLMs) to bridge the gap between existing chemical literature and active experimental practice. By using LLMs for data extraction and chemical reasoning, we infuse prior knowledge into our active learning loops. This ensures our robots are not just generating data, but are guided by informed, sequence-property relationships.

Future Outlook

Our goal is to transform peptide engineering from an empirical craft into a predictable discipline. By closing the loop between robotic synthesis and AI-driven reasoning, we aim to uncover the underlying rules that govern soft matter. This integrated approach will enable the rapid design of biobased, biodegradable materials tailored for complex environments in biomedicine and sustainable technology.