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Our research focuses on advancing molecular and multiscale modeling methods to study the structure, function and mechanics of biological systems and biological and bioinspired materials. We develop computational methods for the design and characterization of novel functional materials from the nanoscale for medical and engineering applications, drawing inspiration from natural design principles. We also investigate new characterization approaches for highly disordered molecules and associated self-assembly principles, related functions and implications for health and disease. Our work aims to expose disease mechanisms from a fundamental scale into structural and functional hierarchies associated with complex biological systems.