Chemical Ligands and Methods A7: Pareto-optimization of protein-surface targeting supramolecular binders with hetero-avidity

Prof. Dr. Daniel Hoffmann

The challenge to achieve optimized hetero-avidity of larger protein surface binders will be adressed in project A7 with a focus on combinatorial approaches. Protein binders are analyzed as libraries of different molecular recognition units covalently attached to a flexible generic scaffold. Various limiting criteria such as positive cooperativity and protein specificity are treated independently, and combined in a Pareto-optimization procedure. Special attention will be paid to the treatment of solvent and entropy effects. Relationships between binder composition and experimental assays will be statistically analyzed, including training of machine learning models.