Integrating Multiscale Molecular Dynamics and High-Resolution Experiments to Elucidate Early Amyloid-Membrane Interactions

• Grant number: 26/04262-0
• Support Opportunities: Research Grants - Visiting Researcher Grant - International
• Start date: August 03, 2026
• End date: January 02, 2027
• Field of knowledge: Biological Sciences - Biophysics - Molecular Biophysics
• Principal Investigator: Rosangela Itri
• Grantee: Rosangela Itri
• Visiting researcher: Monica Andrea Pickholz
• Visiting researcher institution: Universidad De Buenos Aires/Uba , Argentina
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• City of the host institution: São Paulo
• Associated research grant: 22/07231-7 - Plasticity and functional modulation of intrinsically disordered proteins, AP.TEM

Abstract

Early interactions between amyloidogenic peptides and cellular membranes play a central role in amyloid toxicity, yet their transient and multiscale nature makes them particularly challenging to resolve. This visit is designed to enable intensive, on-site integration of multiscale Molecular Dynamics simulations with ongoing high-resolution experimental studies, addressing how amyloidogenic peptides interact with and disrupt lipid membranes during the earliest stages of aggregation.The in-person collaboration will allow rapid iteration between simulations and experiments, including joint analysis of experimental datasets, real-time refinement of computational models, and the design of targeted experiments informed directly by simulation outcomes. The visit aid to establish a robust and predictive framework for peptide-membrane interactions that would be considerably more difficult to be achieved through remote collaboration. This integrative effort will advance mechanistic understanding of membrane-mediated amyloid toxicity and support the development of predictive models relevant to amyloid-related diseases.In addition to its scientific objectives, the visit will strengthen the local research and training environment through hands-on contributing to the training of PhD students and postdoctoral researchers, fostering interdisciplinary skill development and sustained collaborative capacity. (AU)