CORDIS Project
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The project develops a computational model to map protein sequences to their dynamics and interactions, enhancing bioengineering applications. It introduces innovative methods for efficient molecular dynamics simulations, enabling rapid exploration and optimization of protein sequences for targeted functions, particula…
Minute changes in proteins—such as a single amino acid substitution—can profoundly impact cellular function.
A computational model capable of systematically mapping the relationship between protein sequences, their dynamics, and their interactions with other biomolecules would revolutionize biology and enable rational, physics-informed bioengineering applications.
SPETITO outlines the methodological foundations for such a framework.Recent advances in deep generative AI (GenAI) have enabled surro…
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