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- Caterina Arcangeli
Caterina Arcangeli
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I am a senior scientist at ENEA’s Sustainability of Productive and Territorial Systems Department. I hold a Ph.D. in Environmental Science from the University of Tuscia and have have worked as a postdoctoral researcher at NEST – Scuola Normale Superiore. My experience includes visiting research positions at the University of Illinois, the University of Heidelberg, and Oak Ridge National Laboratory (ORNL).
My expertise lies in the application of computational techniques, with a focus on structural bioinformatics, molecular simulations, to study biological systems, nano bio-derived materials, and bio-inorganic interfaces.
Currently, I investigate the effects of environmental factors—such as air pollution (particularly PM2.5, ultrafine particles (UFP), nanoplastics) and nutrition—on human health using in silico approaches. My work also focuses on identifying, through virtual screening, new natural bioactive molecules from plant and microbial waste matrices for applications in biomedicine, nutraceuticals, and cosmeceuticals. A key area of my work is the development of nanoscale digital twins to create dynamic and predictive digital representations of molecular systems, simulating interactions and studying the influence of physical phenomena on biological functions with high precision. Additionally, I am actively involved in the application of artificial intelligence (AI) to support molecular dynamics simulations and accelerate the design of innovative drugs through atomic-level molecular interaction studies.
By integrating computational modeling, experimental research, and AI-driven approaches, I aim to address complex biological challenges and contribute to advancements in health, sustainability, and biotechnology.