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Federico Fontana

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Open access Sep 2026

Folding-Driven Control of the Functional PP1 Complex via Multiscale Modeling

Understanding how conformational dynamics regulate protein complex assembly remains a central challenge in molecular systems biology. Here, we develop a multiscale modeling framework that integrates all-atom molecular dynamics (MD) simulations with rule-based kinetic modeling to investigate formation of the PP1–GADD34–...

Federico Fontana, Bryan A. Bogin, Michael W. Irvin et al. · 0 citations

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